CID 107036

1-heptadecanoyl-rac-glycerol

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h19,21-22H,2-18H2,1H3
InChIKey
SVUQHVRAGMNPLW-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl heptadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

7634
Patents

344.29266 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 191.9
[M+Na]+ 367.28188 196.9
[M+NH4]+ 362.32648 195.3
[M+K]+ 383.25582 191.0
[M-H]- 343.28538 188.0
[M+Na-2H]- 365.26733 189.5
[M]+ 344.29211 190.9
[M]- 344.29321 190.9
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