CID 71758479

2-(tert-butoxy)pyridin-3-ol

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC(C)(C)OC1=C(C=CC=N1)O
InChI
InChI=1S/C9H13NO2/c1-9(2,3)12-8-7(11)5-4-6-10-8/h4-6,11H,1-3H3
InChIKey
SKXQQKOPAZBPJR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.6
[M+Na]+ 190.08386 144.1
[M-H]- 166.08736 137.0
[M+NH4]+ 185.12846 154.7
[M+K]+ 206.05780 142.6
[M+H-H2O]+ 150.09190 130.0
[M+HCOO]- 212.09284 156.3
[M+CH3COO]- 226.10849 176.1
[M+Na-2H]- 188.06931 143.4
[M]+ 167.09409 136.9
[M]- 167.09519 136.9
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

No patent data available for this compound.