CID 121605740

(2e)-4-amino-n-methylbut-2-enamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CNC(=O)/C=C/CN

InChI

InChI=1S/C5H10N2O/c1-7-5(8)3-2-4-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+

InChIKey

FKNQPMKUSCPENH-NSCUHMNNSA-N

Compound name

(E)-4-amino-N-methylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 114.079315 Da
Monoisotopic Mass: -1.1
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]+	115.086591	123.9
[M+Na]+	137.068533	130.3
[M-H]-	113.072039	123.9
[M+NH4]+	132.113138	145.7
[M+K]+	153.042473	129.6
[M+H-H2O]+	97.076575	118.9
[M+HCOO]-	159.077516	149.0
[M+CH3COO]-	173.093166	172.7
[M+Na-2H]-	135.053981	129.5
[M]+	114.07876642	121.3
[M]-	114.07986358	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe