CID 5283013

15-oxo-11z,13e-eicosadienoic acid

Structural Information

Molecular Formula
C20H34O3
SMILES
CCCCCC(=O)/C=C/C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
InChIKey
QZCMHXPXGACWLJ-QWAPPMFBSA-N
Compound name
(11Z,13E)-15-oxoicosa-11,13-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

322.2508 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 187.0
[M+Na]+ 345.24002 188.8
[M-H]- 321.24352 183.5
[M+NH4]+ 340.28462 200.5
[M+K]+ 361.21396 184.0
[M+H-H2O]+ 305.24806 180.3
[M+HCOO]- 367.24900 204.3
[M+CH3COO]- 381.26465 209.3
[M+Na-2H]- 343.22547 183.8
[M]+ 322.25025 191.8
[M]- 322.25135 191.8
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