CID 80695306

1-(2-fluoroethyl)-3,3-dimethylpiperazine dihydrochloride

Structural Information

Molecular Formula
C8H17FN2
SMILES
CC1(CN(CCN1)CCF)C
InChI
InChI=1S/C8H17FN2/c1-8(2)7-11(5-3-9)6-4-10-8/h10H,3-7H2,1-2H3
InChIKey
YKBUSWCKRBEEOY-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.13757 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.14485 136.7
[M+Na]+ 183.12679 142.9
[M-H]- 159.13029 134.2
[M+NH4]+ 178.17139 156.2
[M+K]+ 199.10073 140.8
[M+H-H2O]+ 143.13483 129.6
[M+HCOO]- 205.13577 152.0
[M+CH3COO]- 219.15142 175.5
[M+Na-2H]- 181.11224 141.7
[M]+ 160.13702 130.6
[M]- 160.13812 130.6
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

No patent data available for this compound.