CID 45602092

2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid hydrochloride

Structural Information

Molecular Formula
C9H14F3NO2
SMILES
C1CN(CCC1CC(=O)O)CC(F)(F)F
InChI
InChI=1S/C9H14F3NO2/c10-9(11,12)6-13-3-1-7(2-4-13)5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKey
HGCQBESVKCIVOY-UHFFFAOYSA-N
Compound name
2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.09766 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10494 147.7
[M+Na]+ 248.08688 153.1
[M-H]- 224.09038 143.7
[M+NH4]+ 243.13148 163.6
[M+K]+ 264.06082 150.9
[M+H-H2O]+ 208.09492 139.2
[M+HCOO]- 270.09586 159.9
[M+CH3COO]- 284.11151 185.5
[M+Na-2H]- 246.07233 149.4
[M]+ 225.09711 139.6
[M]- 225.09821 139.6
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