CID 15335509

Trans,trans-hepta-2,4,6-trienoic acid

Structural Information

Molecular Formula
C7H8O2
SMILES
C=C/C=C/C=C/C(=O)O
InChI
InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5+
InChIKey
FUCUVXOXNOUYJN-VNKDHWASSA-N
Compound name
(2E,4E)-hepta-2,4,6-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

124.05243 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 124.6
[M+Na]+ 147.04165 132.1
[M-H]- 123.04515 123.6
[M+NH4]+ 142.08625 146.2
[M+K]+ 163.01559 129.7
[M+H-H2O]+ 107.04969 120.6
[M+HCOO]- 169.05063 146.9
[M+CH3COO]- 183.06628 167.2
[M+Na-2H]- 145.02710 129.5
[M]+ 124.05188 123.6
[M]- 124.05298 123.6
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