CID 42810

N-cyclohexylglycine

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1CCC(CC1)NCC(=O)O

InChI

InChI=1S/C8H15NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,10,11)

InChIKey

OQMYZVWIXPPDDE-UHFFFAOYSA-N

Compound name

2-(cyclohexylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11360
Patents: 157.11028 Da
Monoisotopic Mass: -0.9
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	134.8
[M+Na]+	180.099498	138.1
[M-H]-	156.103004	135.9
[M+NH4]+	175.144103	154.1
[M+K]+	196.073438	137.0
[M+H-H2O]+	140.107540	129.0
[M+HCOO]-	202.108481	154.4
[M+CH3COO]-	216.124131	175.6
[M+Na-2H]-	178.084946	139.0
[M]+	157.10973142	128.8
[M]-	157.11082858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe