CID 3032353

777-36-6

Structural Information

Molecular Formula
C8H12N4O2
SMILES
C1CN1C(=O)N/C=C/NC(=O)N2CC2
InChI
InChI=1S/C8H12N4O2/c13-7(11-3-4-11)9-1-2-10-8(14)12-5-6-12/h1-2H,3-6H2,(H,9,13)(H,10,14)/b2-1+
InChIKey
WGALHHZHSDFQLW-OWOJBTEDSA-N
Compound name
N-[(E)-2-(aziridine-1-carbonylamino)ethenyl]aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 162.0
[M+Na]+ 219.085238 168.6
[M-H]- 195.088744 166.6
[M+NH4]+ 214.129843 167.3
[M+K]+ 235.059178 164.6
[M+H-H2O]+ 179.093280 154.8
[M+HCOO]- 241.094221 181.7
[M+CH3COO]- 255.109871 197.1
[M+Na-2H]- 217.070686 164.1
[M]+ 196.09547142 163.9
[M]- 196.09656858 163.9
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.