CID 165950202

Methyl 2-(diethoxymethyl)pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCOC(C1=NC=C(C=N1)C(=O)OC)OCC
InChI
InChI=1S/C11H16N2O4/c1-4-16-11(17-5-2)9-12-6-8(7-13-9)10(14)15-3/h6-7,11H,4-5H2,1-3H3
InChIKey
JHJPWXIHKZXWQR-UHFFFAOYSA-N
Compound name
methyl 2-(diethoxymethyl)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 152.7
[M+Na]+ 263.10023 159.8
[M-H]- 239.10373 153.5
[M+NH4]+ 258.14483 167.6
[M+K]+ 279.07417 159.7
[M+H-H2O]+ 223.10827 144.6
[M+HCOO]- 285.10921 173.1
[M+CH3COO]- 299.12486 192.1
[M+Na-2H]- 261.08568 156.9
[M]+ 240.11046 158.5
[M]- 240.11156 158.5
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

No patent data available for this compound.