CID 105433259

4-methyl-4-(trifluoromethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C6H8F3NO
SMILES
CC1(CC(=O)NC1)C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c1-5(6(7,8)9)2-4(11)10-3-5/h2-3H2,1H3,(H,10,11)
InChIKey
JZRBCVUMNBFMJC-UHFFFAOYSA-N
Compound name
4-methyl-4-(trifluoromethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.063076 129.4
[M+Na]+ 190.045018 138.2
[M-H]- 166.048524 126.7
[M+NH4]+ 185.089623 151.8
[M+K]+ 206.018958 136.1
[M+H-H2O]+ 150.053060 122.9
[M+HCOO]- 212.054001 145.7
[M+CH3COO]- 226.069651 172.8
[M+Na-2H]- 188.030466 134.0
[M]+ 167.05525142 121.9
[M]- 167.05634858 121.9
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.