CID 43840583

1170999-92-4

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(C)(C)C1=NC(=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-6(9(13)14)5-8(11)12-7/h4-5H,1-3H3,(H,13,14)

InChIKey

KFSUWIKTBQSUJX-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-chloropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 213.05565 Da
Monoisotopic Mass: 3.0
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]+	214.06293	144.8
[M+Na]+	236.04487	157.8
[M+NH4]+	231.08947	152.2
[M+K]+	252.01881	152.5
[M-H]-	212.04837	144.8
[M+Na-2H]-	234.03032	150.4
[M]+	213.05510	146.9
[M]-	213.05620	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe