CID 21866

5659-67-6

Structural Information

Molecular Formula

C₇H₁₄N₂O₄

SMILES

CCOC(=O)NCCCOC(=O)N

InChI

InChI=1S/C7H14N2O4/c1-2-12-7(11)9-4-3-5-13-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)

InChIKey

CWQLEXDJESBAJM-UHFFFAOYSA-N

Compound name

ethyl N-(3-carbamoyloxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.09535 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]+	191.102626	141.3
[M+Na]+	213.084568	146.5
[M-H]-	189.088074	140.9
[M+NH4]+	208.129173	159.9
[M+K]+	229.058508	147.3
[M+H-H2O]+	173.092610	135.2
[M+HCOO]-	235.093551	165.6
[M+CH3COO]-	249.109201	185.4
[M+Na-2H]-	211.070016	144.7
[M]+	190.09480142	143.1
[M]-	190.09589858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe