CID 14143522

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

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

C#CCNCC#N

InChI

InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h1,7H,4-5H2

InChIKey

VKMQENXKRDPRHY-UHFFFAOYSA-N

Compound name

2-(prop-2-ynylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 94.0531 Da
Monoisotopic Mass: -0.3
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]+	95.060376	149.8
[M+Na]+	117.04232	157.4
[M+NH4]+	112.08692	150.7
[M+K]+	133.01626	147.5
[M-H]-	93.045824	138.8
[M+Na-2H]-	115.02777	148.4
[M]+	94.052551	146.4
[M]-	94.053649	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe