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

7
Patents

208.13757 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.14485 147.8
[M+Na]+ 231.12679 154.8
[M-H]- 207.13029 148.8
[M+NH4]+ 226.17139 165.3
[M+K]+ 247.10073 150.6
[M+H-H2O]+ 191.13483 139.1
[M+HCOO]- 253.13577 163.4
[M+CH3COO]- 267.15142 184.2
[M+Na-2H]- 229.11224 152.4
[M]+ 208.13702 141.0
[M]- 208.13812 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