CID 135465480

Chembl203976

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1CCC(CC1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H14N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h6,14H,1-5H2,(H,16,17)(H,12,13,15)
InChIKey
SKQSAVBVNPPLAZ-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 151.9
[M+Na]+ 261.08457 158.2
[M-H]- 237.08807 151.8
[M+NH4]+ 256.12917 164.5
[M+K]+ 277.05851 154.3
[M+H-H2O]+ 221.09261 144.2
[M+HCOO]- 283.09355 165.9
[M+CH3COO]- 297.10920 183.5
[M+Na-2H]- 259.07002 153.9
[M]+ 238.09480 146.1
[M]- 238.09590 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.