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]+ 197.10330 162.0
[M+Na]+ 219.08524 168.6
[M-H]- 195.08874 166.6
[M+NH4]+ 214.12984 167.3
[M+K]+ 235.05918 164.6
[M+H-H2O]+ 179.09328 154.8
[M+HCOO]- 241.09422 181.7
[M+CH3COO]- 255.10987 197.1
[M+Na-2H]- 217.07069 164.1
[M]+ 196.09547 163.9
[M]- 196.09657 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.