CID 14922222

4,6-dimethylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=C(C(=NC=N1)C)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(2)9-3-8-4/h3H,1-2H3,(H,10,11)
InChIKey
SBJRXHBKPCHGQY-UHFFFAOYSA-N
Compound name
4,6-dimethylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

152.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.0
[M+Na]+ 175.04780 138.8
[M-H]- 151.05130 129.4
[M+NH4]+ 170.09240 147.2
[M+K]+ 191.02174 137.1
[M+H-H2O]+ 135.05584 122.5
[M+HCOO]- 197.05678 149.8
[M+CH3COO]- 211.07243 174.3
[M+Na-2H]- 173.03325 135.2
[M]+ 152.05803 129.6
[M]- 152.05913 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe