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

9
Patents

153.07654 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe