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]+ 168.06308 129.4
[M+Na]+ 190.04502 138.2
[M-H]- 166.04852 126.7
[M+NH4]+ 185.08962 151.8
[M+K]+ 206.01896 136.1
[M+H-H2O]+ 150.05306 122.9
[M+HCOO]- 212.05400 145.7
[M+CH3COO]- 226.06965 172.8
[M+Na-2H]- 188.03047 134.0
[M]+ 167.05525 121.9
[M]- 167.05635 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.