CID 131839753

3c,5t,7t-decatrienoic acid

Structural Information

Molecular Formula
C10H14O2
SMILES
CC/C=C/C=C/C=C\CC(=O)O
InChI
InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h3-8H,2,9H2,1H3,(H,11,12)/b4-3+,6-5+,8-7-
InChIKey
FVIISBOXJVOMEB-CQXHLCGLSA-N
Compound name
(3Z,5E,7E)-deca-3,5,7-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 138.6
[M+Na]+ 189.08860 145.0
[M-H]- 165.09210 137.1
[M+NH4]+ 184.13320 158.7
[M+K]+ 205.06254 141.8
[M+H-H2O]+ 149.09664 134.1
[M+HCOO]- 211.09758 160.0
[M+CH3COO]- 225.11323 175.7
[M+Na-2H]- 187.07405 142.0
[M]+ 166.09883 138.8
[M]- 166.09993 138.8
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.