CID 9920436

1803601-44-6

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C1CC(=CCC1CN)C(=O)O

InChI

InChI=1S/C8H13NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6H,1-2,4-5,9H2,(H,10,11)

InChIKey

MZPZFPYJTSAQPX-UHFFFAOYSA-N

Compound name

4-(aminomethyl)cyclohexene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 155.09464 Da
Monoisotopic Mass: -2.0
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]+	156.10192	133.1
[M+Na]+	178.08386	138.5
[M-H]-	154.08736	134.5
[M+NH4]+	173.12846	152.7
[M+K]+	194.05780	136.9
[M+H-H2O]+	138.09190	127.7
[M+HCOO]-	200.09284	153.6
[M+CH3COO]-	214.10849	175.8
[M+Na-2H]-	176.06931	136.6
[M]+	155.09409	128.0
[M]-	155.09519	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe