CID 129792615

1-(2,2,2-trifluoroethyl)pyrazolidine hydrochloride

Structural Information

Molecular Formula
C5H9F3N2
SMILES
C1CNN(C1)CC(F)(F)F
InChI
InChI=1S/C5H9F3N2/c6-5(7,8)4-10-3-1-2-9-10/h9H,1-4H2
InChIKey
XZISQFQHZJZZDU-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07178 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07906 129.0
[M+Na]+ 177.06100 136.0
[M-H]- 153.06450 124.1
[M+NH4]+ 172.10560 148.2
[M+K]+ 193.03494 134.1
[M+H-H2O]+ 137.06904 120.2
[M+HCOO]- 199.06998 143.7
[M+CH3COO]- 213.08563 170.8
[M+Na-2H]- 175.04645 133.2
[M]+ 154.07123 120.2
[M]- 154.07233 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

No patent data available for this compound.