CID 14077

1-(2-cyanoethyl)aziridine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1CN1CCC#N

InChI

InChI=1S/C5H8N2/c6-2-1-3-7-4-5-7/h1,3-5H2

InChIKey

OUZLDCCUOMNCON-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 175
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	115.7
[M+Na]+	119.05797	130.8
[M-H]-	95.061474	120.7
[M+NH4]+	114.10257	133.0
[M+K]+	135.03191	126.6
[M+H-H2O]+	79.066010	105.6
[M+HCOO]-	141.06695	137.3
[M+CH3COO]-	155.08260	183.6
[M+Na-2H]-	117.04342	125.3
[M]+	96.068201	114.9
[M]-	96.069299	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe