CID 53480982

1-eicosenoyl-glycerol

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-/t22-/m0/s1
InChIKey
HPTOSMWVVSKAGZ-DYYZXQNHSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12
Patents

384.32397 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.33125 204.1
[M+Na]+ 407.31319 208.6
[M+NH4]+ 402.35779 209.8
[M+K]+ 423.28713 201.8
[M-H]- 383.31669 199.8
[M+Na-2H]- 405.29864 200.8
[M]+ 384.32342 202.9
[M]- 384.32452 202.9
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

No patent data available for this compound.