CID 262394

90749-76-1

Structural Information

Molecular Formula
C8H10N4O3
SMILES
CN1C(=O)C(=C(N(C1=O)CC=C)N)N=O
InChI
InChI=1S/C8H10N4O3/c1-3-4-12-6(9)5(10-15)7(13)11(2)8(12)14/h3H,1,4,9H2,2H3
InChIKey
JHDCESCAFVJTGE-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-5-nitroso-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08257 140.9
[M+Na]+ 233.06451 153.1
[M-H]- 209.06801 144.4
[M+NH4]+ 228.10911 157.9
[M+K]+ 249.03845 150.6
[M+H-H2O]+ 193.07255 133.5
[M+HCOO]- 255.07349 167.4
[M+CH3COO]- 269.08914 194.6
[M+Na-2H]- 231.04996 146.2
[M]+ 210.07474 144.3
[M]- 210.07584 144.3
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.