CID 140564

19617-44-8

Structural Information

Molecular Formula

C₆H₁₁NO₄

SMILES

CCOC(=O)NC(=O)OCC

InChI

InChI=1S/C6H11NO4/c1-3-10-5(8)7-6(9)11-4-2/h3-4H2,1-2H3,(H,7,8,9)

InChIKey

PQVSTLUFSYVLTO-UHFFFAOYSA-N

Compound name

ethyl N-ethoxycarbonylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57418
Patents: 161.0688 Da
Monoisotopic Mass: 0.9
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]+	162.07608	133.8
[M+Na]+	184.05802	141.6
[M+NH4]+	179.10262	139.5
[M+K]+	200.03196	138.6
[M-H]-	160.06152	131.6
[M+Na-2H]-	182.04347	135.7
[M]+	161.06825	133.7
[M]-	161.06935	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe