PubChemLite - 91788-83-9 (C48H86N4O8)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1C)(C)C)OC(=O)CC(C(CC(=O)OC2CC(N(C(C2)(C)C)C)(C)C)C(=O)OC3CC(N(C(C3)(C)C)C)(C)C)C(=O)OC4CC(N(C(C4)(C)C)C)(C)C)C

InChI

InChI=1S/C48H86N4O8/c1-41(2)23-31(24-42(3,4)49(41)17)57-37(53)21-35(39(55)59-33-27-45(9,10)51(19)46(11,12)28-33)36(40(56)60-34-29-47(13,14)52(20)48(15,16)30-34)22-38(54)58-32-25-43(5,6)50(18)44(7,8)26-32/h31-36H,21-30H2,1-20H3

InChIKey

WUPCFMITFBVJMS-UHFFFAOYSA-N

Compound name

tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl) butane-1,2,3,4-tetracarboxylate

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]+	847.65188	240.2
[M+Na]+	869.63382	241.3
[M-H]-	845.63732	243.1
[M+NH4]+	864.67842	244.5
[M+K]+	885.60776	247.8
[M+H-H2O]+	829.64186	238.1
[M+HCOO]-	891.64280	232.4
[M+CH3COO]-	905.65845	307.0
[M+Na-2H]-	867.61927	265.7
[M]+	846.64405	247.1
[M]-	846.64515	247.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

847.65188

240.2

[M+Na]+

869.63382

241.3

[M-H]-

845.63732

243.1

[M+NH4]+

864.67842

244.5

[M+K]+

885.60776

247.8

[M+H-H2O]+

829.64186

238.1

[M+HCOO]-

891.64280

232.4

[M+CH3COO]-

905.65845

307.0

[M+Na-2H]-

867.61927

265.7

[M]+

846.64405

247.1

[M]-

846.64515

247.1

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

91788-83-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe