CID 9836244

Pentapropylene glycol

Structural Information

Molecular Formula
C15H32O6
SMILES
CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C15H32O6/c1-11(17)7-18-13(3)9-20-15(5)10-21-14(4)8-19-12(2)6-16/h11-17H,6-10H2,1-5H3
InChIKey
AQRQHYITOOVBTO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1344
Patents

308.21988 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.22716 179.2
[M+Na]+ 331.20910 180.4
[M-H]- 307.21260 175.1
[M+NH4]+ 326.25370 192.2
[M+K]+ 347.18304 181.7
[M+H-H2O]+ 291.21714 172.8
[M+HCOO]- 353.21808 193.4
[M+CH3COO]- 367.23373 205.3
[M+Na-2H]- 329.19455 174.4
[M]+ 308.21933 185.5
[M]- 308.22043 185.5
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