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]+ 189.12337 143.1
[M+Na]+ 211.10531 148.5
[M-H]- 187.10881 144.6
[M+NH4]+ 206.14991 163.0
[M+K]+ 227.07925 149.8
[M+H-H2O]+ 171.11335 136.9
[M+HCOO]- 233.11429 169.0
[M+CH3COO]- 247.12994 188.8
[M+Na-2H]- 209.09076 147.5
[M]+ 188.11554 146.7
[M]- 188.11664 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.