CID 89023

Methyl cyanocarbamate

Structural Information

Molecular Formula

C₃H₄N₂O₂

SMILES

COC(=O)NC#N

InChI

InChI=1S/C3H4N2O2/c1-7-3(6)5-2-4/h1H3,(H,5,6)

InChIKey

ZSYJMXLJNPEAGP-UHFFFAOYSA-N

Compound name

methyl N-cyanocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 895
Patents: 100.027275 Da
Monoisotopic Mass: 0.0
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]+	101.03455	119.6
[M+Na]+	123.01649	128.6
[M+NH4]+	118.06110	123.6
[M+K]+	138.99043	121.7
[M-H]-	99.019999	111.8
[M+Na-2H]-	121.00194	121.2
[M]+	100.02673	117.5
[M]-	100.02782	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe