CID 112002

Propylene glycol dipropionate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCC(=O)OCC(C)OC(=O)CC
InChI
InChI=1S/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3
InChIKey
KFNABOVSAPCOCY-UHFFFAOYSA-N
Compound name
2-propanoyloxypropyl propanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

664
Patents

188.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 142.4
[M+Na]+ 211.09408 150.5
[M+NH4]+ 206.13868 148.0
[M+K]+ 227.06802 147.3
[M-H]- 187.09758 139.6
[M+Na-2H]- 209.07953 143.5
[M]+ 188.10431 142.3
[M]- 188.10541 142.3
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