CID 23112

N-cyanoacetylurethane

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCOC(=O)NC(=O)CC#N

InChI

InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10)

InChIKey

HSOGVWWWGVFXGF-UHFFFAOYSA-N

Compound name

ethyl N-(2-cyanoacetyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 156.0535 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]+	157.06078	134.1
[M+Na]+	179.04272	142.0
[M+NH4]+	174.08732	136.8
[M+K]+	195.01666	135.5
[M-H]-	155.04622	125.4
[M+Na-2H]-	177.02817	134.2
[M]+	156.05295	131.5
[M]-	156.05405	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe