CID 419293

2-aminobutanenitrile hydrochloride

Structural Information

Molecular Formula

C₄H₈N₂

SMILES

CCC(C#N)N

InChI

InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3

InChIKey

DQQIUVCNBOJDGF-UHFFFAOYSA-N

Compound name

2-aminobutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 480
Patents: 84.06875 Da
Monoisotopic Mass: 0.0
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]+	85.076026	116.5
[M+Na]+	107.05797	125.2
[M-H]-	83.061474	117.2
[M+NH4]+	102.10257	137.6
[M+K]+	123.03191	125.4
[M+H-H2O]+	67.066010	105.6
[M+HCOO]-	129.06695	136.8
[M+CH3COO]-	143.08260	181.0
[M+Na-2H]-	105.04342	122.4
[M]+	84.068201	109.8
[M]-	84.069299	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe