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]+ 228.04221 139.6
[M+Na]+ 250.02415 147.0
[M-H]- 226.02765 143.4
[M+NH4]+ 245.06875 150.1
[M+K]+ 265.99809 146.6
[M+H-H2O]+ 210.03219 128.3
[M+HCOO]- 272.03313 154.7
[M+CH3COO]- 286.04878 188.0
[M+Na-2H]- 248.00960 143.8
[M]+ 227.03438 149.9
[M]- 227.03548 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.