CID 18070582

5-chloro-6-isopropoxynicotinic acid

Structural Information

Molecular Formula

C₉H₁₀ClNO₃

SMILES

CC(C)OC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C9H10ClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5H,1-2H3,(H,12,13)

InChIKey

PZDIVDDFLGKWID-UHFFFAOYSA-N

Compound name

5-chloro-6-propan-2-yloxypyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 215.03493 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	216.04221	142.1
[M+Na]+	238.02415	154.8
[M+NH4]+	233.06875	149.2
[M+K]+	253.99809	150.0
[M-H]-	214.02765	142.1
[M+Na-2H]-	236.00960	147.4
[M]+	215.03438	144.0
[M]-	215.03548	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe