CID 165949280

Methyl 5-(dimethoxymethyl)pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H12N2O4
SMILES
COC(C1=CN=C(N=C1)C(=O)OC)OC
InChI
InChI=1S/C9H12N2O4/c1-13-8(12)7-10-4-6(5-11-7)9(14-2)15-3/h4-5,9H,1-3H3
InChIKey
UHHXRDVVSBADCV-UHFFFAOYSA-N
Compound name
methyl 5-(dimethoxymethyl)pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 143.4
[M+Na]+ 235.06893 151.4
[M-H]- 211.07243 144.6
[M+NH4]+ 230.11353 159.4
[M+K]+ 251.04287 151.7
[M+H-H2O]+ 195.07697 135.7
[M+HCOO]- 257.07791 164.5
[M+CH3COO]- 271.09356 186.2
[M+Na-2H]- 233.05438 148.7
[M]+ 212.07916 148.5
[M]- 212.08026 148.5
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.