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]+ 198.073636 139.4
[M+Na]+ 220.055578 145.2
[M-H]- 196.059084 134.4
[M+NH4]+ 215.100183 157.4
[M+K]+ 236.029518 142.9
[M+H-H2O]+ 180.063620 132.2
[M+HCOO]- 242.064561 150.8
[M+CH3COO]- 256.080211 175.3
[M+Na-2H]- 218.041026 143.6
[M]+ 197.06581142 128.7
[M]- 197.06690858 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.