CID 55300441

1314910-43-4

Structural Information

Molecular Formula

C₅H₆N₂

SMILES

C1C(=CC#N)CN1

InChI

InChI=1S/C5H6N2/c6-2-1-5-3-7-4-5/h1,7H,3-4H2

InChIKey

OWMAUILZJRKPBN-UHFFFAOYSA-N

Compound name

2-(azetidin-3-ylidene)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 94.0531 Da
Monoisotopic Mass: -1.0
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	121.9
[M+Na]+	117.04232	128.3
[M+NH4]+	112.08692	123.3
[M+K]+	133.01626	121.6
[M-H]-	93.045824	113.0
[M+Na-2H]-	115.02777	122.5
[M]+	94.052551	118.3
[M]-	94.053649	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe