CID 11288815

3'-trifluoromethyl-3,4,5,6-tetrahydro-2h-[1,2']bipyridinyl-4-carboxylic acid

Structural Information

Molecular Formula
C12H13F3N2O2
SMILES
C1CN(CCC1C(=O)O)C2=C(C=CC=N2)C(F)(F)F
InChI
InChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-1-5-16-10(9)17-6-3-8(4-7-17)11(18)19/h1-2,5,8H,3-4,6-7H2,(H,18,19)
InChIKey
BGNKYDHEZJLXEU-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

274.09293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.100206 159.3
[M+Na]+ 297.082148 165.7
[M-H]- 273.085654 157.5
[M+NH4]+ 292.126753 171.6
[M+K]+ 313.056088 161.7
[M+H-H2O]+ 257.090190 148.6
[M+HCOO]- 319.091131 170.6
[M+CH3COO]- 333.106781 194.2
[M+Na-2H]- 295.067596 161.3
[M]+ 274.09238142 150.8
[M]- 274.09347858 150.8
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