CID 528429

Tripropylene glycol monopropyl ether

Structural Information

Molecular Formula
C12H26O4
SMILES
CCCOCC(C)OCC(C)OCC(C)O
InChI
InChI=1S/C12H26O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h10-13H,5-9H2,1-4H3
InChIKey
JKEHLQXXZMANPK-UHFFFAOYSA-N
Compound name
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5099
Patents

234.1831 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 160.1
[M+Na]+ 257.17232 163.6
[M-H]- 233.17582 158.0
[M+NH4]+ 252.21692 177.2
[M+K]+ 273.14626 164.3
[M+H-H2O]+ 217.18036 154.3
[M+HCOO]- 279.18130 178.4
[M+CH3COO]- 293.19695 193.0
[M+Na-2H]- 255.15777 159.6
[M]+ 234.18255 165.6
[M]- 234.18365 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe