CID 55299484

3-methylazetidine-3-carbonitrile hydrochloride

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: 266
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	114.1
[M+Na]+	119.057968	122.3
[M-H]-	95.061474	115.6
[M+NH4]+	114.102573	129.4
[M+K]+	135.031908	124.6
[M+H-H2O]+	79.066010	99.2
[M+HCOO]-	141.066951	130.9
[M+CH3COO]-	155.082601	180.4
[M+Na-2H]-	117.043416	122.1
[M]+	96.06820142	114.5
[M]-	96.06929858	114.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe