CID 16784326

3-amino-n-cyclohexylpropanamide

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1CCC(CC1)NC(=O)CCN

InChI

InChI=1S/C9H18N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-7,10H2,(H,11,12)

InChIKey

OHYOQNYNFIQCLU-UHFFFAOYSA-N

Compound name

3-amino-N-cyclohexylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 170.1419 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]+	171.149176	139.8
[M+Na]+	193.131118	142.4
[M-H]-	169.134624	141.6
[M+NH4]+	188.175723	158.9
[M+K]+	209.105058	141.1
[M+H-H2O]+	153.139160	133.4
[M+HCOO]-	215.140101	160.8
[M+CH3COO]-	229.155751	182.9
[M+Na-2H]-	191.116566	143.2
[M]+	170.14135142	132.8
[M]-	170.14244858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe