CID 10880

Diethyl ethylenedicarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CCOC(=O)NCCNC(=O)OCC
InChI
InChI=1S/C8H16N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
InChIKey
SDNZFSXPFLVPMI-UHFFFAOYSA-N
Compound name
ethyl N-[2-(ethoxycarbonylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 145.9
[M+Na]+ 227.10023 150.7
[M-H]- 203.10373 145.8
[M+NH4]+ 222.14483 164.3
[M+K]+ 243.07417 151.6
[M+H-H2O]+ 187.10827 139.6
[M+HCOO]- 249.10921 170.4
[M+CH3COO]- 263.12486 188.3
[M+Na-2H]- 225.08568 149.8
[M]+ 204.11046 149.0
[M]- 204.11156 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe