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 149.6
[M+Na]+ 245.10606 157.7
[M-H]- 221.10956 151.0
[M+NH4]+ 240.15066 166.6
[M+K]+ 261.08000 153.5
[M+H-H2O]+ 205.11410 141.1
[M+HCOO]- 267.11504 165.5
[M+CH3COO]- 281.13069 186.6
[M+Na-2H]- 243.09151 153.6
[M]+ 222.11629 144.0
[M]- 222.11739 144.0
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

No patent data available for this compound.