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]+ 197.103296 142.7
[M+Na]+ 219.085238 150.3
[M-H]- 195.088744 141.9
[M+NH4]+ 214.129843 159.6
[M+K]+ 235.059178 147.4
[M+H-H2O]+ 179.093280 135.3
[M+HCOO]- 241.094221 164.9
[M+CH3COO]- 255.109871 184.9
[M+Na-2H]- 217.070686 144.7
[M]+ 196.09547142 140.0
[M]- 196.09656858 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.