CID 55282120

1205544-78-0

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

C1CC1(CN)C#N

InChI

InChI=1S/C5H8N2/c6-3-5(4-7)1-2-5/h1-3,6H2

InChIKey

WICRKCABAQJKSY-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 96.06875 Da
Monoisotopic Mass: -0.7
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	131.5
[M+NH4]+	114.10257	127.6
[M+K]+	135.03191	123.3
[M-H]-	95.061474	121.6
[M+Na-2H]-	117.04342	127.4
[M]+	96.068201	122.5
[M]-	96.069299	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe