CID 445637

Valinamide

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CC(C)[C@@H](C(=O)N)N

InChI

InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1

InChIKey

XDEHMKQLKPZERH-BYPYZUCNSA-N

Compound name

(2S)-2-amino-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 6384
Patents: 116.09496 Da
Monoisotopic Mass: -0.4
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	126.6
[M+Na]+	139.08418	132.1
[M-H]-	115.08768	126.1
[M+NH4]+	134.12878	147.9
[M+K]+	155.05812	132.6
[M+H-H2O]+	99.092220	121.5
[M+HCOO]-	161.09316	148.9
[M+CH3COO]-	175.10881	176.2
[M+Na-2H]-	137.06963	128.4
[M]+	116.09441	122.5
[M]-	116.09551	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe