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]+ 196.057996 135.3
[M+Na]+ 218.039938 144.1
[M-H]- 194.043444 133.9
[M+NH4]+ 213.084543 155.3
[M+K]+ 234.013878 142.7
[M+H-H2O]+ 178.047980 127.8
[M+HCOO]- 240.048921 152.1
[M+CH3COO]- 254.064571 182.1
[M+Na-2H]- 216.025386 136.9
[M]+ 195.05017142 130.2
[M]- 195.05126858 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.