CID 91234

Tetrapropylene glycol

Structural Information

Molecular Formula
C12H26O5
SMILES
CC(CO)OCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C12H26O5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-14H,5-8H2,1-4H3
InChIKey
QVHMSMOUDQXMRS-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18539
Patents

250.17802 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.18530 163.2
[M+Na]+ 273.16724 166.0
[M-H]- 249.17074 159.6
[M+NH4]+ 268.21184 178.7
[M+K]+ 289.14118 166.8
[M+H-H2O]+ 233.17528 157.5
[M+HCOO]- 295.17622 179.2
[M+CH3COO]- 309.19187 193.5
[M+Na-2H]- 271.15269 161.0
[M]+ 250.17747 167.6
[M]- 250.17857 167.6
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