CID 53480960

2-palmitoleoyl-glycerol

Structural Information

Molecular Formula
C19H36O4
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h7-8,18,20-21H,2-6,9-17H2,1H3/b8-7-
InChIKey
CXUXMSACCLYMBI-FPLPWBNLSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

328.26135 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.268626 189.0
[M+Na]+ 351.250568 190.1
[M-H]- 327.254074 184.1
[M+NH4]+ 346.295173 201.6
[M+K]+ 367.224508 186.4
[M+H-H2O]+ 311.258610 182.2
[M+HCOO]- 373.259551 204.9
[M+CH3COO]- 387.275201 207.4
[M+Na-2H]- 349.236016 185.7
[M]+ 328.26080142 194.3
[M]- 328.26189858 194.3
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