CID 53480983

Mg(20:2(11z,14z)/0:0/0:0)

Structural Information

Molecular Formula
C23H42O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C23H42O4/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/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-/t22-/m0/s1
InChIKey
QRBGFYBOCBYOSN-KDTZXJSHSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.30832 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.315596 205.1
[M+Na]+ 405.297538 204.9
[M-H]- 381.301044 199.5
[M+NH4]+ 400.342143 203.3
[M+K]+ 421.271478 199.6
[M+H-H2O]+ 365.305580 197.7
[M+HCOO]- 427.306521 213.6
[M+CH3COO]- 441.322171 217.7
[M+Na-2H]- 403.282986 199.8
[M]+ 382.30777142 211.1
[M]- 382.30886858 211.1
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.