CID 5526

701-54-2

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CC(CCC1CN)C(=O)O

InChI

InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)

InChIKey

GYDJEQRTZSCIOI-UHFFFAOYSA-N

Compound name

4-(aminomethyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 6226
References: 53561
Patents: 157.11028 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]+	158.117556	135.0
[M+Na]+	180.099498	139.4
[M-H]-	156.103004	136.0
[M+NH4]+	175.144103	154.5
[M+K]+	196.073438	137.9
[M+H-H2O]+	140.107540	129.6
[M+HCOO]-	202.108481	154.0
[M+CH3COO]-	216.124131	176.2
[M+Na-2H]-	178.084946	137.5
[M]+	157.10973142	128.5
[M]-	157.11082858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe