CID 83680861

1211588-66-7

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

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

InChI

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

InChIKey

ISBSSLLKVDMOQI-UHFFFAOYSA-N

Compound name

6-tert-butyl-2-chloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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]+	214.062926	143.1
[M+Na]+	236.044868	152.8
[M-H]-	212.048374	144.8
[M+NH4]+	231.089473	161.3
[M+K]+	252.018808	149.1
[M+H-H2O]+	196.052910	138.4
[M+HCOO]-	258.053851	158.1
[M+CH3COO]-	272.069501	184.1
[M+Na-2H]-	234.030316	148.2
[M]+	213.05510142	145.8
[M]-	213.05619858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe