CID 68499424

1-(methylamino)cyclopropane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CNC1(CC1)C#N

InChI

InChI=1S/C5H8N2/c1-7-5(4-6)2-3-5/h7H,2-3H2,1H3

InChIKey

MTKBHIBTALLJEK-UHFFFAOYSA-N

Compound name

1-(methylamino)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 96.06875 Da
Monoisotopic Mass: -0.1
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	120.4
[M+Na]+	119.05797	131.7
[M+NH4]+	114.10257	127.7
[M+K]+	135.03191	123.4
[M-H]-	95.061474	121.7
[M+Na-2H]-	117.04342	127.8
[M]+	96.068201	122.6
[M]-	96.069299	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe