CID 6435902

2-ethylhex-2-enoic acid

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

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

InChI

InChI=1S/C8H14O2/c1-3-5-6-7(4-2)8(9)10/h6H,3-5H2,1-2H3,(H,9,10)/b7-6+

InChIKey

WOWYPHJOHOCYII-VOTSOKGWSA-N

Compound name

(E)-2-ethylhex-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 734
Patents: 142.09938 Da
Monoisotopic Mass: 2.4
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	132.8
[M+Na]+	165.08860	142.0
[M+NH4]+	160.13320	139.6
[M+K]+	181.06254	137.3
[M-H]-	141.09210	130.9
[M+Na-2H]-	163.07405	134.9
[M]+	142.09883	133.2
[M]-	142.09993	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe