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]+ 267.13393 160.8
[M+Na]+ 289.11587 172.0
[M+NH4]+ 284.16047 166.7
[M+K]+ 305.08981 167.4
[M-H]- 265.11937 161.8
[M+Na-2H]- 287.10132 165.6
[M]+ 266.12610 162.4
[M]- 266.12720 162.4
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.