CID 22911331

6-(tert-butoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

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

InChI

InChI=1S/C10H13NO3/c1-10(2,3)14-8-6-4-5-7(11-8)9(12)13/h4-6H,1-3H3,(H,12,13)

InChIKey

YCQBBBFIVUMNRM-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 195.08954 Da
Monoisotopic Mass: 2.0
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]+	196.096816	141.6
[M+Na]+	218.078758	149.5
[M-H]-	194.082264	143.0
[M+NH4]+	213.123363	159.3
[M+K]+	234.052698	148.3
[M+H-H2O]+	178.086800	135.7
[M+HCOO]-	240.087741	161.4
[M+CH3COO]-	254.103391	181.2
[M+Na-2H]-	216.064206	147.7
[M]+	195.08899142	143.4
[M]-	195.09008858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe