CID 25116525

1072855-43-6

Structural Information

Molecular Formula
C10H12N2O3
SMILES
C1CCC(C1)OC2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C10H12N2O3/c13-9(14)7-5-11-10(12-6-7)15-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,13,14)
InChIKey
GPKDHSFGOCKTSK-UHFFFAOYSA-N
Compound name
2-cyclopentyloxypyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

208.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.8
[M+Na]+ 231.074018 150.2
[M-H]- 207.077524 146.3
[M+NH4]+ 226.118623 160.5
[M+K]+ 247.047958 148.3
[M+H-H2O]+ 191.082060 135.8
[M+HCOO]- 253.083001 163.1
[M+CH3COO]- 267.098651 180.7
[M+Na-2H]- 229.059466 147.1
[M]+ 208.08425142 141.8
[M]- 208.08534858 141.8
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