CID 13203797

Trimethylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(C(=NC(=N1)C)C)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-4-7(8(11)12)5(2)10-6(3)9-4/h1-3H3,(H,11,12)
InChIKey
DRDANIHGQXLGSQ-UHFFFAOYSA-N
Compound name
2,4,6-trimethylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

166.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.1
[M+Na]+ 189.06345 143.4
[M-H]- 165.06695 133.7
[M+NH4]+ 184.10805 151.1
[M+K]+ 205.03739 141.5
[M+H-H2O]+ 149.07149 126.8
[M+HCOO]- 211.07243 153.5
[M+CH3COO]- 225.08808 178.6
[M+Na-2H]- 187.04890 138.1
[M]+ 166.07368 134.5
[M]- 166.07478 134.5
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

patents stripe