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

7
Patents

197.08005 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 137.5
[M+Na]+ 220.06927 149.9
[M-H]- 196.07277 140.2
[M+NH4]+ 215.11387 155.1
[M+K]+ 236.04321 147.6
[M+H-H2O]+ 180.07731 130.8
[M+HCOO]- 242.07825 162.0
[M+CH3COO]- 256.09390 188.4
[M+Na-2H]- 218.05472 143.1
[M]+ 197.07950 141.5
[M]- 197.08060 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