CID 77758

4114-28-7

Structural Information

Molecular Formula

C₆H₁₂N₂O₄

SMILES

CCOC(=O)NNC(=O)OCC

InChI

InChI=1S/C6H12N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)

InChIKey

JXMLAPZRDDWRRV-UHFFFAOYSA-N

Compound name

ethyl N-(ethoxycarbonylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 754
Patents: 176.07971 Da
Monoisotopic Mass: 0.6
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]+	177.08699	137.9
[M+Na]+	199.06893	144.4
[M+NH4]+	194.11353	143.1
[M+K]+	215.04287	141.8
[M-H]-	175.07243	135.9
[M+Na-2H]-	197.05438	139.4
[M]+	176.07916	137.5
[M]-	176.08026	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe