CID 135624097

Brn 1948639

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC/C(=N\OCC)/NC(=O)OCC
InChI
InChI=1S/C8H16N2O3/c1-4-7(10-13-6-3)9-8(11)12-5-2/h4-6H2,1-3H3,(H,9,10,11)
InChIKey
IECJTGHFYYQIDD-UHFFFAOYSA-N
Compound name
ethyl N-[(E)-N-ethoxy-C-ethylcarbonimidoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 143.1
[M+Na]+ 211.105308 148.5
[M-H]- 187.108814 144.6
[M+NH4]+ 206.149913 163.0
[M+K]+ 227.079248 149.8
[M+H-H2O]+ 171.113350 136.9
[M+HCOO]- 233.114291 169.0
[M+CH3COO]- 247.129941 188.8
[M+Na-2H]- 209.090756 147.5
[M]+ 188.11554142 146.7
[M]- 188.11663858 146.7
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

No patent data available for this compound.