CID 137323842

1-o-(1e,3e,5e,7e,9e-eicosapentenyl)-sn-glycerol

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/OC[C@H](CO)O
InChI
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24/h11-20,23-25H,2-10,21-22H2,1H3/b12-11+,14-13+,16-15+,18-17+,20-19+/t23-/m0/s1
InChIKey
FLVFUGHXHVAEAR-WJAUOLPUSA-N
Compound name
(2S)-3-[(1E,3E,5E,7E,9E)-icosa-1,3,5,7,9-pentaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2821 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 198.8
[M+Na]+ 385.27132 199.6
[M-H]- 361.27482 193.3
[M+NH4]+ 380.31592 210.1
[M+K]+ 401.24526 192.1
[M+H-H2O]+ 345.27936 191.8
[M+HCOO]- 407.28030 214.7
[M+CH3COO]- 421.29595 212.2
[M+Na-2H]- 383.25677 194.8
[M]+ 362.28155 202.4
[M]- 362.28265 202.4
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.