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]+ 223.124116 149.6
[M+Na]+ 245.106058 157.7
[M-H]- 221.109564 151.0
[M+NH4]+ 240.150663 166.6
[M+K]+ 261.079998 153.5
[M+H-H2O]+ 205.114100 141.1
[M+HCOO]- 267.115041 165.5
[M+CH3COO]- 281.130691 186.6
[M+Na-2H]- 243.091506 153.6
[M]+ 222.11629142 144.0
[M]- 222.11738858 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.