CID 165897595

En300-686015

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]+ 211.10773 145.5
[M+Na]+ 233.08967 153.6
[M-H]- 209.09317 145.5
[M+NH4]+ 228.13427 161.2
[M+K]+ 249.06361 152.2
[M+H-H2O]+ 193.09771 138.3
[M+HCOO]- 255.09865 164.5
[M+CH3COO]- 269.11430 186.4
[M+Na-2H]- 231.07512 149.0
[M]+ 210.09990 148.1
[M]- 210.10100 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.