CID 16771416

6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1CCN(CC1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H16N2O2/c1-9-4-6-14(7-5-9)11-3-2-10(8-13-11)12(15)16/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKey
YQPINMZQOZZKPY-UHFFFAOYSA-N
Compound name
6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.3
[M+Na]+ 243.110408 156.1
[M-H]- 219.113914 152.4
[M+NH4]+ 238.155013 164.9
[M+K]+ 259.084348 153.0
[M+H-H2O]+ 203.118450 141.9
[M+HCOO]- 265.119391 166.5
[M+CH3COO]- 279.135041 186.2
[M+Na-2H]- 241.095856 153.4
[M]+ 220.12064142 145.8
[M]- 220.12173858 145.8
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