CID 13326679

54243-43-5

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: 19
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	121.7
[M+Na]+	119.05797	131.5
[M+NH4]+	114.10257	126.5
[M+K]+	135.03191	122.6
[M-H]-	95.061474	115.1
[M+Na-2H]-	117.04342	124.1
[M]+	96.068201	120.1
[M]-	96.069299	120.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe