CID 57276719

1-(4-fluorophenyl)-3,3-dimethylpiperazine

Structural Information

Molecular Formula
C12H17FN2
SMILES
CC1(CN(CCN1)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C12H17FN2/c1-12(2)9-15(8-7-14-12)11-5-3-10(13)4-6-11/h3-6,14H,7-9H2,1-2H3
InChIKey
IGYKBURELAZNQI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3,3-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

208.13757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.144846 147.8
[M+Na]+ 231.126788 154.8
[M-H]- 207.130294 148.8
[M+NH4]+ 226.171393 165.3
[M+K]+ 247.100728 150.6
[M+H-H2O]+ 191.134830 139.1
[M+HCOO]- 253.135771 163.4
[M+CH3COO]- 267.151421 184.2
[M+Na-2H]- 229.112236 152.4
[M]+ 208.13702142 141.0
[M]- 208.13811858 141.0
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