CID 5152159

3-(trifluoromethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1CNCC1C(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4-1-2-9-3-4/h4,9H,1-3H2
InChIKey
HCWXUWGQMOEJJJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

783
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 124.6
[M+Na]+ 162.05010 131.6
[M-H]- 138.05360 121.1
[M+NH4]+ 157.09470 145.7
[M+K]+ 178.02404 129.7
[M+H-H2O]+ 122.05814 116.9
[M+HCOO]- 184.05908 140.6
[M+CH3COO]- 198.07473 168.1
[M+Na-2H]- 160.03555 128.9
[M]+ 139.06033 115.2
[M]- 139.06143 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

literature stripe

Patent stripe

patents stripe