CID 64238355

3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one

Structural Information

Molecular Formula
C7H11F3N2O
SMILES
C1CC(C(=O)N(C1)CC(F)(F)F)N
InChI
InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-3-1-2-5(11)6(12)13/h5H,1-4,11H2
InChIKey
OVZICQHZJDXMHT-UHFFFAOYSA-N
Compound name
3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.08235 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08963 139.3
[M+Na]+ 219.07157 146.4
[M-H]- 195.07507 136.9
[M+NH4]+ 214.11617 157.0
[M+K]+ 235.04551 144.2
[M+H-H2O]+ 179.07961 130.9
[M+HCOO]- 241.08055 154.9
[M+CH3COO]- 255.09620 184.6
[M+Na-2H]- 217.05702 142.3
[M]+ 196.08180 130.2
[M]- 196.08290 130.2
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