CID 118115

Aziridine-2-carbonitrile

Structural Information

Molecular Formula

C₃H₄N₂

SMILES

C1C(N1)C#N

InChI

InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2

InChIKey

PGZUFTROELAOMP-UHFFFAOYSA-N

Compound name

aziridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 127
Patents: 68.037445 Da
Monoisotopic Mass: -0.6
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]+	69.044721	108.7
[M+Na]+	91.026663	124.2
[M-H]-	67.030169	112.7
[M+NH4]+	86.071268	126.3
[M+K]+	107.00060	119.6
[M+H-H2O]+	51.034705	99.2
[M+HCOO]-	113.03565	129.6
[M+CH3COO]-	127.05130	176.0
[M+Na-2H]-	89.012111	118.8
[M]+	68.036896	105.7
[M]-	68.037994	105.7

Literature stripe

literature stripe

Patent stripe

patents stripe