CID 156078107

3-ethynyl-3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C7H8F3N
SMILES
C#CC1(CCNC1)C(F)(F)F
InChI
InChI=1S/C7H8F3N/c1-2-6(7(8,9)10)3-4-11-5-6/h1,11H,3-5H2
InChIKey
DOUIWBBZMIVBGV-UHFFFAOYSA-N
Compound name
3-ethynyl-3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06816 128.6
[M+Na]+ 186.05010 138.3
[M-H]- 162.05360 124.5
[M+NH4]+ 181.09470 148.2
[M+K]+ 202.02404 133.9
[M+H-H2O]+ 146.05814 115.5
[M+HCOO]- 208.05908 139.3
[M+CH3COO]- 222.07473 181.2
[M+Na-2H]- 184.03555 132.6
[M]+ 163.06033 115.2
[M]- 163.06143 115.2
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

patents stripe