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

37
Patents

178.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 142.1
[M+Na]+ 201.063448 152.8
[M-H]- 177.066954 146.2
[M+NH4]+ 196.108053 154.3
[M+K]+ 217.037388 148.8
[M+H-H2O]+ 161.071490 134.5
[M+HCOO]- 223.072431 162.7
[M+CH3COO]- 237.088081 182.3
[M+Na-2H]- 199.048896 147.1
[M]+ 178.07368142 144.4
[M]- 178.07477858 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