CID 19979063

2-ethylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CCC1=NC=C(C=N1)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-2-6-8-3-5(4-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
KWYVXQIUKALVIQ-UHFFFAOYSA-N
Compound name
2-ethylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

152.05858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 129.4
[M+Na]+ 175.04780 138.2
[M-H]- 151.05130 129.4
[M+NH4]+ 170.09240 147.3
[M+K]+ 191.02174 136.5
[M+H-H2O]+ 135.05584 122.6
[M+HCOO]- 197.05678 150.2
[M+CH3COO]- 211.07243 173.1
[M+Na-2H]- 173.03325 136.4
[M]+ 152.05803 129.7
[M]- 152.05913 129.7
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