CID 130116415

Methyl 2-formylpyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H6N2O3
SMILES
COC(=O)C1=NC(=NC=C1)C=O
InChI
InChI=1S/C7H6N2O3/c1-12-7(11)5-2-3-8-6(4-10)9-5/h2-4H,1H3
InChIKey
PNDHGYFQHOLPMG-UHFFFAOYSA-N
Compound name
methyl 2-formylpyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.03784 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.045116 130.2
[M+Na]+ 189.027058 139.8
[M-H]- 165.030564 131.7
[M+NH4]+ 184.071663 148.2
[M+K]+ 205.000998 138.9
[M+H-H2O]+ 149.035100 123.1
[M+HCOO]- 211.036041 152.9
[M+CH3COO]- 225.051691 176.3
[M+Na-2H]- 187.012506 137.8
[M]+ 166.03729142 133.0
[M]- 166.03838858 133.0
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.