CID 5382614

(e)-3-cyclohexylacrylic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1CCC(CC1)/C=C/C(=O)O

InChI

InChI=1S/C9H14O2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,11)/b7-6+

InChIKey

GYEYFOYXHNRMGO-VOTSOKGWSA-N

Compound name

(E)-3-cyclohexylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 154.09938 Da
Monoisotopic Mass: 2.8
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]+	155.10666	135.3
[M+Na]+	177.08860	144.8
[M+NH4]+	172.13320	143.2
[M+K]+	193.06254	139.2
[M-H]-	153.09210	135.9
[M+Na-2H]-	175.07405	139.1
[M]+	154.09883	136.4
[M]-	154.09993	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe