CID 28660

Methyl cyanoformate

Structural Information

Molecular Formula

SMILES

COC(=O)C#N

InChI

InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3

InChIKey

OBWFJXLKRAFEDI-UHFFFAOYSA-N

Compound name

methyl cyanoformate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1569
Patents: 85.01638 Da
Monoisotopic Mass: 0.3
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]+	86.023656	110.9
[M+Na]+	108.00560	121.2
[M-H]-	84.009104	112.5
[M+NH4]+	103.05020	132.6
[M+K]+	123.97954	122.2
[M+H-H2O]+	68.013640	100.5
[M+HCOO]-	130.01458	132.0
[M+CH3COO]-	144.03023	176.7
[M+Na-2H]-	105.99105	118.4
[M]+	85.015831	107.6
[M]-	85.016929	107.6

Literature stripe

literature stripe

Patent stripe

patents stripe