CID 5282711

(e)-hept-4-enoic acid

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CC/C=C/CCC(=O)O

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+

InChIKey

KFXPOIKSDYRVKS-ONEGZZNKSA-N

Compound name

(E)-hept-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 746
Patents: 128.08372 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]+	129.09100	128.1
[M+Na]+	151.07294	137.8
[M+NH4]+	146.11754	135.2
[M+K]+	167.04688	132.6
[M-H]-	127.07644	126.5
[M+Na-2H]-	149.05839	130.9
[M]+	128.08317	128.7
[M]-	128.08427	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe