CID 118091

Propylene glycol dipalmitate

Structural Information

Molecular Formula
C35H68O4
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3
InChIKey
UWTZRBLIYNMYTC-UHFFFAOYSA-N
Compound name
2-hexadecanoyloxypropyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

552.5118 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.51908 251.6
[M+Na]+ 575.50102 257.8
[M-H]- 551.50452 237.5
[M+NH4]+ 570.54562 255.1
[M+K]+ 591.47496 259.0
[M+H-H2O]+ 535.50906 252.8
[M+HCOO]- 597.51000 255.4
[M+CH3COO]- 611.52565 259.1
[M+Na-2H]- 573.48647 236.7
[M]+ 552.51125 252.4
[M]- 552.51235 252.4
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