PubChemLite - Dodecapropylene glycol (C36H74O13)

Structural Information

Molecular Formula

SMILES

CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O

InChI

InChI=1S/C36H74O13/c1-25(38)14-39-27(3)16-41-29(5)18-43-31(7)20-45-33(9)22-47-35(11)24-49-36(12)23-48-34(10)21-46-32(8)19-44-30(6)17-42-28(4)15-40-26(2)13-37/h25-38H,13-24H2,1-12H3

InChIKey

XUAGABNXLLHNRF-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol

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]+	715.52022	287.2
[M+Na]+	737.50216	289.2
[M-H]-	713.50566	288.2
[M+NH4]+	732.54676	305.6
[M+K]+	753.47610	296.0
[M+H-H2O]+	697.51020	291.6
[M+HCOO]-	759.51114	263.4
[M+CH3COO]-	773.52679	280.9
[M+Na-2H]-	735.48761	270.9
[M]+	714.51239	291.9
[M]-	714.51349	291.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

715.52022

287.2

[M+Na]+

737.50216

289.2

[M-H]-

713.50566

288.2

[M+NH4]+

732.54676

305.6

[M+K]+

753.47610

296.0

[M+H-H2O]+

697.51020

291.6

[M+HCOO]-

759.51114

263.4

[M+CH3COO]-

773.52679

280.9

[M+Na-2H]-

735.48761

270.9

[M]+

714.51239

291.9

[M]-

714.51349

291.9

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

Dodecapropylene glycol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe