CID 9576729

Brn 1790559

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CCOC(=O)/N=C/C=N/C(=O)OCC
InChI
InChI=1S/C8H12N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h5-6H,3-4H2,1-2H3/b9-5+,10-6+
InChIKey
STPPAPQQMQVSNN-NXZHAISVSA-N
Compound name
ethyl (NE)-N-[(2E)-2-ethoxycarbonyliminoethylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 144.5
[M+Na]+ 223.06893 151.8
[M+NH4]+ 218.11353 149.5
[M+K]+ 239.04287 147.9
[M-H]- 199.07243 142.9
[M+Na-2H]- 221.05438 146.5
[M]+ 200.07916 144.4
[M]- 200.08026 144.4
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.