CID 52983504

2-ethyl-4-methylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCC1=NC=C(C(=N1)C)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-3-7-9-4-6(8(11)12)5(2)10-7/h4H,3H2,1-2H3,(H,11,12)
InChIKey
BBVREYZUQSMPTO-UHFFFAOYSA-N
Compound name
2-ethyl-4-methylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 134.5
[M+Na]+ 189.06345 147.2
[M+NH4]+ 184.10805 141.3
[M+K]+ 205.03739 142.3
[M-H]- 165.06695 134.3
[M+Na-2H]- 187.04890 140.1
[M]+ 166.07368 136.1
[M]- 166.07478 136.1
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.