CID 63376632

6-chloro-2-cyclobutoxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1CC(C1)OC2=C(C=CC(=N2)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO3/c11-8-5-4-7(10(13)14)9(12-8)15-6-2-1-3-6/h4-6H,1-3H2,(H,13,14)
InChIKey
FZLADSJVOIUUHJ-UHFFFAOYSA-N
Compound name
6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 139.6
[M+Na]+ 250.024148 147.0
[M-H]- 226.027654 143.4
[M+NH4]+ 245.068753 150.1
[M+K]+ 265.998088 146.6
[M+H-H2O]+ 210.032190 128.3
[M+HCOO]- 272.033131 154.7
[M+CH3COO]- 286.048781 188.0
[M+Na-2H]- 248.009596 143.8
[M]+ 227.03438142 149.9
[M]- 227.03547858 149.9
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.