CID 135411056

2,2-dimethoxy-4-oxo-1,3-dihydropyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O4
SMILES
COC1(NC(=O)/C(=C/O)/C=N1)OC
InChI
InChI=1S/C7H10N2O4/c1-12-7(13-2)8-3-5(4-10)6(11)9-7/h3-4,10H,1-2H3,(H,9,11)/b5-4+
InChIKey
GCADGQPYUSHYPN-SNAWJCMRSA-N
Compound name
(5E)-5-(hydroxymethylidene)-2,2-dimethoxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

186.06406 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07134 137.1
[M+Na]+ 209.05328 145.7
[M-H]- 185.05678 135.6
[M+NH4]+ 204.09788 155.0
[M+K]+ 225.02722 143.9
[M+H-H2O]+ 169.06132 131.4
[M+HCOO]- 231.06226 155.1
[M+CH3COO]- 245.07791 174.0
[M+Na-2H]- 207.03873 143.4
[M]+ 186.06351 136.2
[M]- 186.06461 136.2
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.