PubChemLite - 41715-24-6 (C35H52O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2OCC3(CO2)COC(OC3)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C35H52O6/c1-31(2,3)23-13-21(14-24(27(23)36)32(4,5)6)29-38-17-35(18-39-29)19-40-30(41-20-35)22-15-25(33(7,8)9)28(37)26(16-22)34(10,11)12/h13-16,29-30,36-37H,17-20H2,1-12H3

InChIKey

PWIVQRVFDLNJPF-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenol

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]+	569.38368	238.5
[M+Na]+	591.36562	248.5
[M+NH4]+	586.41022	243.3
[M+K]+	607.33956	244.5
[M-H]-	567.36912	246.7
[M+Na-2H]-	589.35107	241.8
[M]+	568.37585	242.8
[M]-	568.37695	242.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.38368

238.5

[M+Na]+

591.36562

248.5

[M+NH4]+

586.41022

243.3

[M+K]+

607.33956

244.5

[M-H]-

567.36912

246.7

[M+Na-2H]-

589.35107

241.8

[M]+

568.37585

242.8

[M]-

568.37695

242.8

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

41715-24-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe