CID 165897595

4-methyl-2-[(propan-2-yloxy)methyl]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=NC(=NC=C1C(=O)O)COC(C)C
InChI
InChI=1S/C10H14N2O3/c1-6(2)15-5-9-11-4-8(10(13)14)7(3)12-9/h4,6H,5H2,1-3H3,(H,13,14)
InChIKey
WIFAUXVCUVPSPA-UHFFFAOYSA-N
Compound name
4-methyl-2-(propan-2-yloxymethyl)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 145.5
[M+Na]+ 233.089668 153.6
[M-H]- 209.093174 145.5
[M+NH4]+ 228.134273 161.2
[M+K]+ 249.063608 152.2
[M+H-H2O]+ 193.097710 138.3
[M+HCOO]- 255.098651 164.5
[M+CH3COO]- 269.114301 186.4
[M+Na-2H]- 231.075116 149.0
[M]+ 210.09990142 148.1
[M]- 210.10099858 148.1
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.