CID 453093

1,3-dimethyl-6-formyluracil

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)C=O
InChI
InChI=1S/C7H8N2O3/c1-8-5(4-10)3-6(11)9(2)7(8)12/h3-4H,1-2H3
InChIKey
UYXDGQXFKVFXDW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,6-dioxopyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

168.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 127.7
[M+Na]+ 191.042718 140.6
[M-H]- 167.046224 130.2
[M+NH4]+ 186.087323 146.6
[M+K]+ 207.016658 138.6
[M+H-H2O]+ 151.050760 121.4
[M+HCOO]- 213.051701 151.6
[M+CH3COO]- 227.067351 179.1
[M+Na-2H]- 189.028166 134.3
[M]+ 168.05295142 131.8
[M]- 168.05404858 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.