CID 132282532

Chebi:140293

Structural Information

Molecular Formula
C22H32O4
SMILES
CC/C=C\CC(/C=C/C=C\C=C\C=C\C1C(O1)CCCCCC(=O)O)O
InChI
InChI=1S/C22H32O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-7,9-11,15-16,19-21,23H,2,8,12-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,15-10+,16-11+
InChIKey
BZKRUVANVNUJOK-HBVUTLMMSA-N
Compound name
6-[3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaenyl]oxiran-2-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 187.8
[M+Na]+ 383.21929 195.4
[M+NH4]+ 378.26389 191.0
[M+K]+ 399.19323 190.9
[M-H]- 359.22279 192.6
[M+Na-2H]- 381.20474 188.2
[M]+ 360.22952 190.7
[M]- 360.23062 190.7
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.