CID 62745365

2-cyclopropyl-6-methylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=CC(=NC(=N1)C2CC2)C(=O)O
InChI
InChI=1S/C9H10N2O2/c1-5-4-7(9(12)13)11-8(10-5)6-2-3-6/h4,6H,2-3H2,1H3,(H,12,13)
InChIKey
GHPZNOBLMUUKFO-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-methylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

178.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 142.1
[M+Na]+ 201.06345 152.8
[M-H]- 177.06695 146.2
[M+NH4]+ 196.10805 154.3
[M+K]+ 217.03739 148.8
[M+H-H2O]+ 161.07149 134.5
[M+HCOO]- 223.07243 162.7
[M+CH3COO]- 237.08808 182.3
[M+Na-2H]- 199.04890 147.1
[M]+ 178.07368 144.4
[M]- 178.07478 144.4
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