CID 140564

Imidodicarbonic acid, diethyl ester

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

47663
Patents

161.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 132.9
[M+Na]+ 184.058018 139.5
[M-H]- 160.061524 133.4
[M+NH4]+ 179.102623 153.5
[M+K]+ 200.031958 140.9
[M+H-H2O]+ 144.066060 127.7
[M+HCOO]- 206.067001 157.1
[M+CH3COO]- 220.082651 177.2
[M+Na-2H]- 182.043466 137.7
[M]+ 161.06825142 136.1
[M]- 161.06934858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe