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)pyridin-2-yl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

274.09293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10021 159.3
[M+Na]+ 297.08215 165.7
[M-H]- 273.08565 157.5
[M+NH4]+ 292.12675 171.6
[M+K]+ 313.05609 161.7
[M+H-H2O]+ 257.09019 148.6
[M+HCOO]- 319.09113 170.6
[M+CH3COO]- 333.10678 194.2
[M+Na-2H]- 295.06760 161.3
[M]+ 274.09238 150.8
[M]- 274.09348 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