CID 10880

818-42-8

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

8
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 145.9
[M+Na]+ 227.100228 150.7
[M-H]- 203.103734 145.8
[M+NH4]+ 222.144833 164.3
[M+K]+ 243.074168 151.6
[M+H-H2O]+ 187.108270 139.6
[M+HCOO]- 249.109211 170.4
[M+CH3COO]- 263.124861 188.3
[M+Na-2H]- 225.085676 149.8
[M]+ 204.11046142 149.0
[M]- 204.11155858 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