CID 25248138

1018164-10-7

Structural Information

Molecular Formula
C13H15F3N2O2
SMILES
C1CN(CCC1CC(=O)O)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H15F3N2O2/c14-13(15,16)10-1-2-11(17-8-10)18-5-3-9(4-6-18)7-12(19)20/h1-2,8-9H,3-7H2,(H,19,20)
InChIKey
ARIAIKAUNXUOSJ-UHFFFAOYSA-N
Compound name
2-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.10855 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11583 163.8
[M+Na]+ 311.09777 169.8
[M-H]- 287.10127 161.8
[M+NH4]+ 306.14237 175.6
[M+K]+ 327.07171 165.5
[M+H-H2O]+ 271.10581 152.9
[M+HCOO]- 333.10675 174.8
[M+CH3COO]- 347.12240 197.1
[M+Na-2H]- 309.08322 165.3
[M]+ 288.10800 155.7
[M]- 288.10910 155.7
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