CID 29555466

6-(4-tert-butylphenoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H17NO3/c1-16(2,3)12-5-7-13(8-6-12)20-14-9-4-11(10-17-14)15(18)19/h4-10H,1-3H3,(H,18,19)
InChIKey
PFDJDBDZWDCYLY-UHFFFAOYSA-N
Compound name
6-(4-tert-butylphenoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

271.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.4
[M+Na]+ 294.11007 169.9
[M-H]- 270.11357 166.8
[M+NH4]+ 289.15467 176.7
[M+K]+ 310.08401 166.7
[M+H-H2O]+ 254.11811 154.7
[M+HCOO]- 316.11905 181.6
[M+CH3COO]- 330.13470 196.3
[M+Na-2H]- 292.09552 167.3
[M]+ 271.12030 164.1
[M]- 271.12140 164.1
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