CID 137928438

2260937-04-8

Structural Information

Molecular Formula
C7H10F3NO2
SMILES
C1CC(CNC1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H10F3NO2/c8-7(9,10)6(5(12)13)2-1-3-11-4-6/h11H,1-4H2,(H,12,13)
InChIKey
GDEAPMNTAZDQJE-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06636 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07364 139.4
[M+Na]+ 220.05558 145.2
[M-H]- 196.05908 134.4
[M+NH4]+ 215.10018 157.4
[M+K]+ 236.02952 142.9
[M+H-H2O]+ 180.06362 132.2
[M+HCOO]- 242.06456 150.8
[M+CH3COO]- 256.08021 175.3
[M+Na-2H]- 218.04103 143.6
[M]+ 197.06581 128.7
[M]- 197.06691 128.7
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

No patent data available for this compound.