CID 75508688

2,2-dimethyl-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
CC1(C(CCN1)C(F)(F)F)C
InChI
InChI=1S/C7H12F3N/c1-6(2)5(3-4-11-6)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKey
UYTSKXBHSPEGJD-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09946 140.7
[M+Na]+ 190.08140 147.3
[M+NH4]+ 185.12600 147.6
[M+K]+ 206.05534 142.7
[M-H]- 166.08490 136.2
[M+Na-2H]- 188.06685 143.5
[M]+ 167.09163 140.0
[M]- 167.09273 140.0
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

No patent data available for this compound.