CID 11425609

(2e)-4-oxohexadeca-2,15-dienoic acid

Structural Information

Molecular Formula
C16H26O3
SMILES
C=CCCCCCCCCCCC(=O)/C=C/C(=O)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h2,13-14H,1,3-12H2,(H,18,19)/b14-13+
InChIKey
FVNVZUDUUWRXLM-BUHFOSPRSA-N
Compound name
(2E)-4-oxohexadeca-2,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.19548 168.8
[M+Na]+ 289.17742 172.2
[M-H]- 265.18092 166.1
[M+NH4]+ 284.22202 184.5
[M+K]+ 305.15136 168.4
[M+H-H2O]+ 249.18546 162.8
[M+HCOO]- 311.18640 187.4
[M+CH3COO]- 325.20205 198.0
[M+Na-2H]- 287.16287 167.7
[M]+ 266.18765 172.2
[M]- 266.18875 172.2
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.