CID 53732896

N-cyano-n-methylcyclopropanamine

Structural Information

Molecular Formula

C₅H₈N₂

SMILES

CN(C#N)C1CC1

InChI

InChI=1S/C5H8N2/c1-7(4-6)5-2-3-5/h5H,2-3H2,1H3

InChIKey

CPDBNQRPHYEKKL-UHFFFAOYSA-N

Compound name

cyclopropyl(methyl)cyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 96.06875 Da
Monoisotopic Mass: 1.1
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	115.1
[M+Na]+	119.05797	129.8
[M-H]-	95.061474	122.8
[M+NH4]+	114.10257	133.9
[M+K]+	135.03191	126.6
[M+H-H2O]+	79.066010	105.7
[M+HCOO]-	141.06695	139.2
[M+CH3COO]-	155.08260	188.5
[M+Na-2H]-	117.04342	124.3
[M]+	96.068201	114.4
[M]-	96.069299	114.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe