CID 13223304

89549-92-8

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CNC1=C(C(=O)N(C(=O)N1C)C)C=O
InChI
InChI=1S/C8H11N3O3/c1-9-6-5(4-12)7(13)11(3)8(14)10(6)2/h4,9H,1-3H3
InChIKey
LMOMYYSBGBBWCF-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.08005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.087326 137.5
[M+Na]+ 220.069268 149.9
[M-H]- 196.072774 140.2
[M+NH4]+ 215.113873 155.1
[M+K]+ 236.043208 147.6
[M+H-H2O]+ 180.077310 130.8
[M+HCOO]- 242.078251 162.0
[M+CH3COO]- 256.093901 188.4
[M+Na-2H]- 218.054716 143.1
[M]+ 197.07950142 141.5
[M]- 197.08059858 141.5
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

patents stripe