CID 5319879

2-monoolein

Structural Information

Molecular Formula
C21H40O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey
UPWGQKDVAURUGE-KTKRTIGZSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

18456
Patents

356.29266 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.29994 195.5
[M+Na]+ 379.28188 200.4
[M+NH4]+ 374.32648 202.9
[M+K]+ 395.25582 194.1
[M-H]- 355.28538 191.4
[M+Na-2H]- 377.26733 192.7
[M]+ 356.29211 194.4
[M]- 356.29321 194.4
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