CID 137323843

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

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/OC[C@H](CO)O
InChI
InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25/h12-21,24-26H,2-11,22-23H2,1H3/b13-12+,15-14+,17-16+,19-18+,21-20+/t24-/m0/s1
InChIKey
BBSWQSIILCKZHS-LMVIFOQNSA-N
Compound name
(2S)-3-[(1E,3E,5E,7E,9E)-henicosa-1,3,5,7,9-pentaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.29776 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 203.0
[M+Na]+ 399.28698 203.5
[M-H]- 375.29048 197.4
[M+NH4]+ 394.33158 213.8
[M+K]+ 415.26092 195.7
[M+H-H2O]+ 359.29502 195.9
[M+HCOO]- 421.29596 218.7
[M+CH3COO]- 435.31161 215.2
[M+Na-2H]- 397.27243 198.6
[M]+ 376.29721 207.1
[M]- 376.29831 207.1
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.