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]+ 168.099456 132.1
[M+Na]+ 190.081398 140.3
[M-H]- 166.084904 129.2
[M+NH4]+ 185.126003 154.6
[M+K]+ 206.055338 138.0
[M+H-H2O]+ 150.089440 125.5
[M+HCOO]- 212.090381 147.6
[M+CH3COO]- 226.106031 174.8
[M+Na-2H]- 188.066846 136.1
[M]+ 167.09163142 124.2
[M]- 167.09272858 124.2
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.