CID 24950986

Rac-(2r,6s)-6-(trifluoromethyl)piperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1C[C@H](N[C@H](C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h4-5,11H,1-3H2,(H,12,13)/t4-,5+/m0/s1
InChIKey
JZHYKAVGVXNSTD-CRCLSJGQSA-N
Compound name
(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 139.0
[M+Na]+ 220.05558 144.9
[M-H]- 196.05908 134.0
[M+NH4]+ 215.10018 155.3
[M+K]+ 236.02952 142.2
[M+H-H2O]+ 180.06362 131.2
[M+HCOO]- 242.06456 150.4
[M+CH3COO]- 256.08021 176.9
[M+Na-2H]- 218.04103 141.3
[M]+ 197.06581 128.4
[M]- 197.06691 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.