CID 12827208

Hexapropylene glycol

Structural Information

Molecular Formula
C18H38O7
SMILES
CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C18H38O7/c1-13(20)8-21-15(3)10-23-17(5)12-25-18(6)11-24-16(4)9-22-14(2)7-19/h13-20H,7-12H2,1-6H3
InChIKey
UDOJNGPPRYJMKR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

991
Patents

366.26175 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.26903 194.8
[M+Na]+ 389.25097 194.4
[M-H]- 365.25447 196.6
[M+NH4]+ 384.29557 206.0
[M+K]+ 405.22491 196.3
[M+H-H2O]+ 349.25901 187.9
[M+HCOO]- 411.25995 198.9
[M+CH3COO]- 425.27560 216.9
[M+Na-2H]- 387.23642 187.4
[M]+ 366.26120 200.6
[M]- 366.26230 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe