CID 55299484

936850-33-8

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CC1(CNC1)C#N

InChI

InChI=1S/C5H8N2/c1-5(2-6)3-7-4-5/h7H,3-4H2,1H3

InChIKey

VYFRXIJQTMYYGB-UHFFFAOYSA-N

Compound name

3-methylazetidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 197
Patents: 96.06875 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]+	97.076026	119.9
[M+Na]+	119.05797	126.4
[M+NH4]+	114.10257	122.8
[M+K]+	135.03191	118.6
[M-H]-	95.061474	111.3
[M+Na-2H]-	117.04342	122.1
[M]+	96.068201	116.6
[M]-	96.069299	116.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe