CID 10154062

76259-32-0

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(=C)C(=O)NCCN

InChI

InChI=1S/C6H12N2O/c1-5(2)6(9)8-4-3-7/h1,3-4,7H2,2H3,(H,8,9)

InChIKey

RFZRLVGQBIINKQ-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-methylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2715
Patents: 128.09496 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]+	129.102236	129.0
[M+Na]+	151.084178	134.7
[M-H]-	127.087684	128.9
[M+NH4]+	146.128783	150.2
[M+K]+	167.058118	134.2
[M+H-H2O]+	111.092220	123.8
[M+HCOO]-	173.093161	152.8
[M+CH3COO]-	187.108811	177.3
[M+Na-2H]-	149.069626	132.8
[M]+	128.09441142	126.2
[M]-	128.09550858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe