CID 18916326

2,4,7-decatrienoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

166.09938 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe