CID 9576729

Glyoxal, bis(ethoxycarbonylamido-

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]+ 201.086986 142.1
[M+Na]+ 223.068928 148.6
[M-H]- 199.072434 145.2
[M+NH4]+ 218.113533 162.2
[M+K]+ 239.042868 150.1
[M+H-H2O]+ 183.076970 135.8
[M+HCOO]- 245.077911 170.2
[M+CH3COO]- 259.093561 190.3
[M+Na-2H]- 221.054376 147.3
[M]+ 200.07916142 147.6
[M]- 200.08025858 147.6
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.