CID 53471790

3-amino-3-cyclohexylpropanamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C1CCC(CC1)C(CC(=O)N)N

InChI

InChI=1S/C9H18N2O/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H2,11,12)

InChIKey

ZBHYMBGLJYOYSZ-UHFFFAOYSA-N

Compound name

3-amino-3-cyclohexylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 170.1419 Da
Monoisotopic Mass: 0.6
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]+	171.14918	140.3
[M+Na]+	193.13112	147.1
[M+NH4]+	188.17572	147.8
[M+K]+	209.10506	142.9
[M-H]-	169.13462	142.0
[M+Na-2H]-	191.11657	143.3
[M]+	170.14135	141.2
[M]-	170.14245	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe