CID 62085600

5-(cyclohexyloxy)-2-(propan-2-yl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)C1=NC=C(C(=N1)C(=O)O)OC2CCCCC2
InChI
InChI=1S/C14H20N2O3/c1-9(2)13-15-8-11(12(16-13)14(17)18)19-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,17,18)
InChIKey
AHCLZXYCPBRLOJ-UHFFFAOYSA-N
Compound name
5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 161.8
[M+Na]+ 287.136618 166.2
[M-H]- 263.140124 163.6
[M+NH4]+ 282.181223 174.4
[M+K]+ 303.110558 163.9
[M+H-H2O]+ 247.144660 153.0
[M+HCOO]- 309.145601 176.5
[M+CH3COO]- 323.161251 195.3
[M+Na-2H]- 285.122066 162.7
[M]+ 264.14685142 158.9
[M]- 264.14794858 158.9
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.