CID 6436630

Monolinolein

Structural Information

Molecular Formula
C21H38O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m0/s1
InChIKey
WECGLUPZRHILCT-GSNKCQISSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

23
References

16542
Patents

354.277 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28428 196.4
[M+Na]+ 377.26622 197.0
[M-H]- 353.26972 191.2
[M+NH4]+ 372.31082 207.9
[M+K]+ 393.24016 192.2
[M+H-H2O]+ 337.27426 189.4
[M+HCOO]- 399.27520 211.8
[M+CH3COO]- 413.29085 211.8
[M+Na-2H]- 375.25167 192.1
[M]+ 354.27645 201.7
[M]- 354.27755 201.7
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

No patent data available for this compound.