Ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate] (C50H66O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=C(C=CC(=C1)C(C)(CC(=O)OCCOC(=O)CC(C)(C2=CC(=C(C=C2)O)C(C)(C)C)C3=CC(=C(C=C3)O)C(C)(C)C)C4=CC(=C(C=C4)O)C(C)(C)C)O

InChI

InChI=1S/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3

InChIKey

JOWXNCPELQZFHF-UHFFFAOYSA-N

Compound name

2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]ethyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	795.483046	280.9
[M+Na]+	817.464988	277.9
[M-H]-	793.468494	286.5
[M+NH4]+	812.509593	273.0
[M+K]+	833.438928	279.3
[M+H-H2O]+	777.473030	270.7
[M+HCOO]-	839.473971	279.3
[M+CH3COO]-	853.489621	293.3
[M+Na-2H]-	815.450436	280.1
[M]+	794.47522142	286.9
[M]-	794.47631858	286.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

795.483046

280.9

[M+Na]+

817.464988

277.9

[M-H]-

793.468494

286.5

[M+NH4]+

812.509593

273.0

[M+K]+

833.438928

279.3

[M+H-H2O]+

777.473030

270.7

[M+HCOO]-

839.473971

279.3

[M+CH3COO]-

853.489621

293.3

[M+Na-2H]-

815.450436

280.1

[M]+

794.47522142

286.9

[M]-

794.47631858

286.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ethylene bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe