CID 5798765

Nsc676398

Structural Information

Molecular Formula
C8H12N4O2
SMILES
C1=NC(=C(N1C/C=C/CO)N)C(=O)N
InChI
InChI=1S/C8H12N4O2/c9-7-6(8(10)14)11-5-12(7)3-1-2-4-13/h1-2,5,13H,3-4,9H2,(H2,10,14)/b2-1+
InChIKey
YLWXZRVDVVGLCX-OWOJBTEDSA-N
Compound name
5-amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 142.7
[M+Na]+ 219.08524 150.3
[M-H]- 195.08874 141.9
[M+NH4]+ 214.12984 159.6
[M+K]+ 235.05918 147.4
[M+H-H2O]+ 179.09328 135.3
[M+HCOO]- 241.09422 164.9
[M+CH3COO]- 255.10987 184.9
[M+Na-2H]- 217.07069 144.7
[M]+ 196.09547 140.0
[M]- 196.09657 140.0
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.