CID 4149241

N-[(cyclohexylamino)carbonyl]glycine

Structural Information

Molecular Formula

C₉H₁₆N₂O₃

SMILES

C1CCC(CC1)NC(=O)NCC(=O)O

InChI

InChI=1S/C9H16N2O3/c12-8(13)6-10-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H,12,13)(H2,10,11,14)

InChIKey

NVORCMBCUHQRDL-UHFFFAOYSA-N

Compound name

2-(cyclohexylcarbamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 200.11609 Da
Monoisotopic Mass: 0.8
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]+	201.12337	145.6
[M+Na]+	223.10531	151.6
[M+NH4]+	218.14991	151.6
[M+K]+	239.07925	148.2
[M-H]-	199.10881	145.8
[M+Na-2H]-	221.09076	147.9
[M]+	200.11554	145.7
[M]-	200.11664	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe