CID 143537

3-(cyclopropylamino)propionitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CC1NCCC#N

InChI

InChI=1S/C6H10N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-3,5H2

InChIKey

OZHWHTICSNFGBZ-UHFFFAOYSA-N

Compound name

3-(cyclopropylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 326
Patents: 110.0844 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]+	111.091676	117.8
[M+Na]+	133.073618	132.0
[M-H]-	109.077124	124.1
[M+NH4]+	128.118223	135.5
[M+K]+	149.047558	127.5
[M+H-H2O]+	93.081660	108.5
[M+HCOO]-	155.082601	141.2
[M+CH3COO]-	169.098251	188.0
[M+Na-2H]-	131.059066	127.3
[M]+	110.08385142	116.4
[M]-	110.08494858	116.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe