CID 65536486

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

Structural Information

Molecular Formula
C8H12F3NO2
SMILES
C1CN(CCC1C(F)(F)F)CC(=O)O
InChI
InChI=1S/C8H12F3NO2/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14/h6H,1-5H2,(H,13,14)
InChIKey
UUTVKHVRDRNZCK-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

211.08202 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08930 143.0
[M+Na]+ 234.07124 148.9
[M-H]- 210.07474 139.3
[M+NH4]+ 229.11584 159.5
[M+K]+ 250.04518 146.9
[M+H-H2O]+ 194.07928 134.7
[M+HCOO]- 256.08022 155.6
[M+CH3COO]- 270.09587 182.5
[M+Na-2H]- 232.05669 145.3
[M]+ 211.08147 134.6
[M]- 211.08257 134.6
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

patents stripe