CID 11095529

1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H8F3NO2
SMILES
CN1CCC(C1=O)C(=O)C(F)(F)F
InChI
InChI=1S/C7H8F3NO2/c1-11-3-2-4(6(11)13)5(12)7(8,9)10/h4H,2-3H2,1H3
InChIKey
IJJGBTHCUXMQEU-UHFFFAOYSA-N
Compound name
1-methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05072 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05800 135.3
[M+Na]+ 218.03994 144.1
[M-H]- 194.04344 133.9
[M+NH4]+ 213.08454 155.3
[M+K]+ 234.01388 142.7
[M+H-H2O]+ 178.04798 127.8
[M+HCOO]- 240.04892 152.1
[M+CH3COO]- 254.06457 182.1
[M+Na-2H]- 216.02539 136.9
[M]+ 195.05017 130.2
[M]- 195.05127 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

literature stripe

Patent stripe

No patent data available for this compound.