PubChemLite - Decapropylene glycol (C30H62O11)

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)O

InChI

InChI=1S/C30H62O11/c1-21(32)12-33-23(3)14-35-25(5)16-37-27(7)18-39-29(9)20-41-30(10)19-40-28(8)17-38-26(6)15-36-24(4)13-34-22(2)11-31/h21-32H,11-20H2,1-10H3

InChIKey

MCVKSYYBBHNAFN-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)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]+	599.43648	257.7
[M+Na]+	621.41842	261.0
[M-H]-	597.42192	257.3
[M+NH4]+	616.46302	271.9
[M+K]+	637.39236	264.5
[M+H-H2O]+	581.42646	261.6
[M+HCOO]-	643.42740	241.4
[M+CH3COO]-	657.44305	261.0
[M+Na-2H]-	619.40387	243.7
[M]+	598.42865	259.8
[M]-	598.42975	259.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

599.43648

257.7

[M+Na]+

621.41842

261.0

[M-H]-

597.42192

257.3

[M+NH4]+

616.46302

271.9

[M+K]+

637.39236

264.5

[M+H-H2O]+

581.42646

261.6

[M+HCOO]-

643.42740

241.4

[M+CH3COO]-

657.44305

261.0

[M+Na-2H]-

619.40387

243.7

[M]+

598.42865

259.8

[M]-

598.42975

259.8

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

Decapropylene glycol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe