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

18
Patents

195.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.6
[M+Na]+ 218.07876 149.5
[M-H]- 194.08226 143.0
[M+NH4]+ 213.12336 159.3
[M+K]+ 234.05270 148.3
[M+H-H2O]+ 178.08680 135.7
[M+HCOO]- 240.08774 161.4
[M+CH3COO]- 254.10339 181.2
[M+Na-2H]- 216.06421 147.7
[M]+ 195.08899 143.4
[M]- 195.09009 143.4
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