CID 556888

1-amino-1-cyclopropanecarbonitrile hydrochloride

Structural Information

Molecular Formula

C₄H₆N₂

SMILES

C1CC1(C#N)N

InChI

InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2

InChIKey

UIVATUPCWVUVIM-UHFFFAOYSA-N

Compound name

1-aminocyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1872
Patents: 82.0531 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]+	83.060376	112.1
[M+Na]+	105.042318	127.9
[M-H]-	81.045824	118.8
[M+NH4]+	100.086923	132.4
[M+K]+	121.016258	123.7
[M+H-H2O]+	65.050360	104.4
[M+HCOO]-	127.051301	135.3
[M+CH3COO]-	141.066951	181.8
[M+Na-2H]-	103.027766	122.5
[M]+	82.05255142	109.7
[M]-	82.05364858	109.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe