CID 69380

Ethyl allophanate

Structural Information

Molecular Formula

C₄H₈N₂O₃

SMILES

CCOC(=O)NC(=O)N

InChI

InChI=1S/C4H8N2O3/c1-2-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)

InChIKey

PIHPSKJRLDSJPX-UHFFFAOYSA-N

Compound name

ethyl N-carbamoylcarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 320
Patents: 132.0535 Da
Monoisotopic Mass: 0.1
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]+	133.06078	126.1
[M+Na]+	155.04272	133.2
[M+NH4]+	150.08732	132.0
[M+K]+	171.01666	130.7
[M-H]-	131.04622	124.5
[M+Na-2H]-	153.02817	128.1
[M]+	132.05295	126.0
[M]-	132.05405	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe