CID 83708053

1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one

Structural Information

Molecular Formula
C12H15FN2O
SMILES
CC1(C(=O)N(CCN1)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C12H15FN2O/c1-12(2)11(16)15(8-7-14-12)10-5-3-9(13)4-6-10/h3-6,14H,7-8H2,1-2H3
InChIKey
CLLYMBGVWOUTQJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11684 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12412 151.8
[M+Na]+ 245.10606 164.2
[M+NH4]+ 240.15066 160.3
[M+K]+ 261.08000 155.6
[M-H]- 221.10956 153.0
[M+Na-2H]- 243.09151 159.1
[M]+ 222.11629 153.9
[M]- 222.11739 153.9
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.