CID 18071266

5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
CC(C)COC1=C(C=C(C=N1)C(=O)O)Cl
InChI
InChI=1S/C10H12ClNO3/c1-6(2)5-15-9-8(11)3-7(4-12-9)10(13)14/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKey
FBOXLYUMUCAYRF-UHFFFAOYSA-N
Compound name
5-chloro-6-(2-methylpropoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.05057 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05785 145.3
[M+Na]+ 252.03979 154.1
[M-H]- 228.04329 146.6
[M+NH4]+ 247.08439 162.5
[M+K]+ 268.01373 151.0
[M+H-H2O]+ 212.04783 139.9
[M+HCOO]- 274.04877 161.1
[M+CH3COO]- 288.06442 187.4
[M+Na-2H]- 250.02524 148.4
[M]+ 229.05002 149.4
[M]- 229.05112 149.4
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