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]+ 216.04221 140.6
[M+Na]+ 238.02415 149.8
[M-H]- 214.02765 142.1
[M+NH4]+ 233.06875 158.3
[M+K]+ 253.99809 147.0
[M+H-H2O]+ 198.03219 135.4
[M+HCOO]- 260.03313 156.8
[M+CH3COO]- 274.04878 184.4
[M+Na-2H]- 236.00960 144.3
[M]+ 215.03438 144.3
[M]- 215.03548 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.