CID 19018488

6-methylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=CC(=NC=N1)C(=O)O
InChI
InChI=1S/C6H6N2O2/c1-4-2-5(6(9)10)8-3-7-4/h2-3H,1H3,(H,9,10)
InChIKey
YSRGRWJKRYESQW-UHFFFAOYSA-N
Compound name
6-methylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

138.04292 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 124.8
[M+Na]+ 161.032138 134.0
[M-H]- 137.035644 124.9
[M+NH4]+ 156.076743 143.2
[M+K]+ 177.006078 132.6
[M+H-H2O]+ 121.040180 118.2
[M+HCOO]- 183.041121 145.9
[M+CH3COO]- 197.056771 170.1
[M+Na-2H]- 159.017586 132.3
[M]+ 138.04237142 124.7
[M]- 138.04346858 124.7
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

patents stripe