CID 5312548

(12z,15z)-henicosa-12,15-dienoic acid

Structural Information

Molecular Formula
C21H38O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCC(=O)O
InChI
InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,22,23)/b7-6-,10-9-
InChIKey
TZOLQRQTGDCGPQ-HZJYTTRNSA-N
Compound name
(12Z,15Z)-henicosa-12,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

322.28717 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.29445 189.7
[M+Na]+ 345.27639 191.0
[M-H]- 321.27989 185.9
[M+NH4]+ 340.32099 203.4
[M+K]+ 361.25033 185.5
[M+H-H2O]+ 305.28443 182.8
[M+HCOO]- 367.28537 207.1
[M+CH3COO]- 381.30102 210.4
[M+Na-2H]- 343.26184 187.1
[M]+ 322.28662 194.7
[M]- 322.28772 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

literature stripe

Patent stripe

patents stripe