CID 50988607

3-(2,2,2-trifluoroethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CNCC1CC(F)(F)F
InChI
InChI=1S/C6H10F3N/c7-6(8,9)3-5-1-2-10-4-5/h5,10H,1-4H2
InChIKey
PTXOIRIEXVHPML-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

153.07654 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08382 129.2
[M+Na]+ 176.06576 135.9
[M-H]- 152.06926 125.6
[M+NH4]+ 171.11036 149.8
[M+K]+ 192.03970 133.7
[M+H-H2O]+ 136.07380 121.3
[M+HCOO]- 198.07474 144.9
[M+CH3COO]- 212.09039 171.1
[M+Na-2H]- 174.05121 133.0
[M]+ 153.07599 120.2
[M]- 153.07709 120.2
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