CID 53405102

Hepta-4,6-dienoic acid

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C=CC=CCCC(=O)O

InChI

InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H,1,5-6H2,(H,8,9)

InChIKey

HHLIJJJAKAFXJB-UHFFFAOYSA-N

Compound name

hepta-4,6-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 126.06808 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.07536	127.5
[M+Na]+	149.05730	137.2
[M+NH4]+	144.10190	134.3
[M+K]+	165.03124	131.9
[M-H]-	125.06080	125.6
[M+Na-2H]-	147.04275	130.2
[M]+	126.06753	128.0
[M]-	126.06863	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe