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]+ 155.079056 129.0
[M+Na]+ 177.060998 136.0
[M-H]- 153.064504 124.1
[M+NH4]+ 172.105603 148.2
[M+K]+ 193.034938 134.1
[M+H-H2O]+ 137.069040 120.2
[M+HCOO]- 199.069981 143.7
[M+CH3COO]- 213.085631 170.8
[M+Na-2H]- 175.046446 133.2
[M]+ 154.07123142 120.2
[M]- 154.07232858 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.