CID 17797104

3-amino-n-methylbutanamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(CC(=O)NC)N

InChI

InChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)

InChIKey

AMELKRLHOQGFSI-UHFFFAOYSA-N

Compound name

3-amino-N-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 116.09496 Da
Monoisotopic Mass: -1.0
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]+	117.10224	125.9
[M+Na]+	139.08418	131.7
[M-H]-	115.08768	125.9
[M+NH4]+	134.12878	147.6
[M+K]+	155.05812	132.0
[M+H-H2O]+	99.092220	120.8
[M+HCOO]-	161.09316	149.8
[M+CH3COO]-	175.10881	175.2
[M+Na-2H]-	137.06963	130.1
[M]+	116.09441	123.4
[M]-	116.09551	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe