CID 228213

98552-54-6

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CNC1(CCCCC1)C(=O)O

InChI

InChI=1S/C8H15NO2/c1-9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)

InChIKey

HVYIHHARGXZADR-UHFFFAOYSA-N

Compound name

1-(methylamino)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 157.11028 Da
Monoisotopic Mass: -1.3
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]+	158.117556	134.7
[M+Na]+	180.099498	139.0
[M-H]-	156.103004	136.2
[M+NH4]+	175.144103	156.1
[M+K]+	196.073438	138.2
[M+H-H2O]+	140.107540	130.0
[M+HCOO]-	202.108481	154.3
[M+CH3COO]-	216.124131	175.2
[M+Na-2H]-	178.084946	140.1
[M]+	157.10973142	129.1
[M]-	157.11082858	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe