CID 13326679

2-[(prop-2-en-1-yl)amino]acetonitrile

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C=CCNCC#N

InChI

InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2,7H,1,4-5H2

InChIKey

OHMDFUNOTGDDOJ-UHFFFAOYSA-N

Compound name

2-(prop-2-enylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 96.06875 Da
Monoisotopic Mass: 0.2
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]+	97.076026	117.9
[M+Na]+	119.057968	126.7
[M-H]-	95.061474	118.9
[M+NH4]+	114.102573	138.8
[M+K]+	135.031908	126.0
[M+H-H2O]+	79.066010	106.9
[M+HCOO]-	141.066951	139.6
[M+CH3COO]-	155.082601	182.8
[M+Na-2H]-	117.043416	125.5
[M]+	96.06820142	112.5
[M]-	96.06929858	112.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe