CID 5282716

3-octenoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCC/C=C/CC(=O)O

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5+

InChIKey

IWPOSDLLFZKGOW-AATRIKPKSA-N

Compound name

(E)-oct-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1878
Patents: 142.09938 Da
Monoisotopic Mass: 2.3
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]+	143.10666	132.6
[M+Na]+	165.08860	142.0
[M+NH4]+	160.13320	139.5
[M+K]+	181.06254	136.5
[M-H]-	141.09210	130.9
[M+Na-2H]-	163.07405	135.1
[M]+	142.09883	133.1
[M]-	142.09993	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe