CID 66686647

6-(1-(tert-butoxycarbonyl)piperidin-4-yl)picolinic acid

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CC=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-11(8-10-18)12-5-4-6-13(17-12)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)
InChIKey
HCTZOZAGAVQLAE-UHFFFAOYSA-N
Compound name
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

306.15796 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 172.4
[M+Na]+ 329.147178 176.7
[M-H]- 305.150684 174.3
[M+NH4]+ 324.191783 183.5
[M+K]+ 345.121118 174.6
[M+H-H2O]+ 289.155220 164.0
[M+HCOO]- 351.156161 185.2
[M+CH3COO]- 365.171811 201.1
[M+Na-2H]- 327.132626 173.4
[M]+ 306.15741142 170.2
[M]- 306.15850858 170.2
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.