CID 54592921

3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H11F3N2O
SMILES
CNC1CCN(C1=O)CC(F)(F)F
InChI
InChI=1S/C7H11F3N2O/c1-11-5-2-3-12(6(5)13)4-7(8,9)10/h5,11H,2-4H2,1H3
InChIKey
LBAHDDQZOVYEQJ-UHFFFAOYSA-N
Compound name
3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.08235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08963 138.0
[M+Na]+ 219.07157 145.8
[M-H]- 195.07507 136.3
[M+NH4]+ 214.11617 157.7
[M+K]+ 235.04551 144.0
[M+H-H2O]+ 179.07961 129.8
[M+HCOO]- 241.08055 156.3
[M+CH3COO]- 255.09620 184.9
[M+Na-2H]- 217.05702 140.9
[M]+ 196.08180 132.0
[M]- 196.08290 132.0
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

patents stripe