CID 2761137

633320-99-7

Structural Information

Molecular Formula
C13H18N2O4
SMILES
COC1=CC(=NC(=N1)C2CCCCC2C(=O)O)OC
InChI
InChI=1S/C13H18N2O4/c1-18-10-7-11(19-2)15-12(14-10)8-5-3-4-6-9(8)13(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKey
ITLOSRQFUNFUGL-UHFFFAOYSA-N
Compound name
2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 160.2
[M+Na]+ 289.115868 166.1
[M-H]- 265.119374 162.4
[M+NH4]+ 284.160473 173.0
[M+K]+ 305.089808 164.1
[M+H-H2O]+ 249.123910 151.4
[M+HCOO]- 311.124851 176.4
[M+CH3COO]- 325.140501 194.8
[M+Na-2H]- 287.101316 162.1
[M]+ 266.12610142 159.4
[M]- 266.12719858 159.4
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

No patent data available for this compound.