CID 123409

2-palmitoylglycerol

Structural Information

Molecular Formula
C19H38O4
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChIKey
BBNYCLAREVXOSG-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

5595
Patents

330.277 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28428 190.4
[M+Na]+ 353.26622 191.1
[M-H]- 329.26972 185.4
[M+NH4]+ 348.31082 202.9
[M+K]+ 369.24016 188.0
[M+H-H2O]+ 313.27426 183.5
[M+HCOO]- 375.27520 206.0
[M+CH3COO]- 389.29085 208.8
[M+Na-2H]- 351.25167 187.0
[M]+ 330.27645 196.5
[M]- 330.27755 196.5
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