CID 11857538

82752-12-3

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

C=CC(=O)NCCCN

InChI

InChI=1S/C6H12N2O/c1-2-6(9)8-5-3-4-7/h2H,1,3-5,7H2,(H,8,9)

InChIKey

FZLUWDXMHJPGBS-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1193
Patents: 128.09496 Da
Monoisotopic Mass: -0.5
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]+	129.10224	128.2
[M+Na]+	151.08418	136.1
[M+NH4]+	146.12878	135.1
[M+K]+	167.05812	131.4
[M-H]-	127.08768	127.9
[M+Na-2H]-	149.06963	131.1
[M]+	128.09441	128.7
[M]-	128.09551	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe