CID 95713

3-(n-aziridinyl)butyronitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC(CC#N)N1CC1

InChI

InChI=1S/C6H10N2/c1-6(2-3-7)8-4-5-8/h6H,2,4-5H2,1H3

InChIKey

KMBJEVSXNIUPIH-UHFFFAOYSA-N

Compound name

3-(aziridin-1-yl)butanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 110.0844 Da
Monoisotopic Mass: 0.2
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]+	111.091676	120.1
[M+Na]+	133.073618	134.6
[M-H]-	109.077124	124.9
[M+NH4]+	128.118223	136.8
[M+K]+	149.047558	130.5
[M+H-H2O]+	93.081660	109.9
[M+HCOO]-	155.082601	140.6
[M+CH3COO]-	169.098251	186.9
[M+Na-2H]-	131.059066	128.1
[M]+	110.08385142	119.1
[M]-	110.08494858	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe