CID 20112633

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

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CC(NC1)CC(F)(F)F
InChI
InChI=1S/C6H10F3N/c7-6(8,9)4-5-2-1-3-10-5/h5,10H,1-4H2
InChIKey
YMNGGKANKDQBRB-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

153.07654 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 129.2
[M+Na]+ 176.065758 135.9
[M-H]- 152.069264 125.6
[M+NH4]+ 171.110363 149.8
[M+K]+ 192.039698 133.7
[M+H-H2O]+ 136.073800 121.3
[M+HCOO]- 198.074741 144.9
[M+CH3COO]- 212.090391 171.1
[M+Na-2H]- 174.051206 133.0
[M]+ 153.07599142 120.2
[M]- 153.07708858 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

No literature data available for this compound.

Patent stripe

patents stripe