CID 39871644

Rac-(3r,6r)-3-amino-6-(trifluoromethyl)piperidin-2-one hydrochloride

Structural Information

Molecular Formula
C6H9F3N2O
SMILES
C1C[C@@H](NC(=O)[C@@H]1N)C(F)(F)F
InChI
InChI=1S/C6H9F3N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h3-4H,1-2,10H2,(H,11,12)/t3-,4-/m1/s1
InChIKey
VJRHPNDTTZGATG-QWWZWVQMSA-N
Compound name
(3R,6R)-3-amino-6-(trifluoromethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0667 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07398 135.3
[M+Na]+ 205.05592 142.4
[M-H]- 181.05942 131.6
[M+NH4]+ 200.10052 152.8
[M+K]+ 221.02986 139.5
[M+H-H2O]+ 165.06396 127.3
[M+HCOO]- 227.06490 149.7
[M+CH3COO]- 241.08055 179.0
[M+Na-2H]- 203.04137 138.3
[M]+ 182.06615 124.0
[M]- 182.06725 124.0
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.