CID 132282530

Chebi:140290

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C[C@H]1[C@@H](O1)/C=C/C=C/C=C\C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10,12,14-15,18,20-21H,2,4,9,11,13,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21-/m0/s1
InChIKey
AVAZFRKFZXNPMT-HWOJEQMHSA-N
Compound name
(7Z,10Z,12E,14E)-15-[(2S,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]pentadeca-7,10,12,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 188.0
[M+Na]+ 367.22436 193.1
[M-H]- 343.22786 189.9
[M+NH4]+ 362.26896 195.3
[M+K]+ 383.19830 185.8
[M+H-H2O]+ 327.23240 180.4
[M+HCOO]- 389.23334 205.5
[M+CH3COO]- 403.24899 212.7
[M+Na-2H]- 365.20981 186.4
[M]+ 344.23459 194.7
[M]- 344.23569 194.7
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.