CID 28491284

3-chloro-6-(propan-2-yloxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CC(C)OC1=NC(=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C9H10ClNO3/c1-5(2)14-7-4-3-6(10)8(11-7)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKey
LKNLOUOTPLJHRS-UHFFFAOYSA-N
Compound name
3-chloro-6-propan-2-yloxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 140.6
[M+Na]+ 238.024148 149.8
[M-H]- 214.027654 142.1
[M+NH4]+ 233.068753 158.3
[M+K]+ 253.998088 147.0
[M+H-H2O]+ 198.032190 135.4
[M+HCOO]- 260.033131 156.8
[M+CH3COO]- 274.048781 184.4
[M+Na-2H]- 236.009596 144.3
[M]+ 215.03438142 144.3
[M]- 215.03547858 144.3
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.