CID 16769614

3-phenyl-1-(piperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CCN1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKey
VBXKDEVTVQJYTD-UHFFFAOYSA-N
Compound name
3-phenyl-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

218.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 152.0
[M+Na]+ 241.13112 155.5
[M-H]- 217.13462 153.1
[M+NH4]+ 236.17572 166.2
[M+K]+ 257.10506 151.7
[M+H-H2O]+ 201.13916 143.1
[M+HCOO]- 263.14010 167.6
[M+CH3COO]- 277.15575 184.2
[M+Na-2H]- 239.11657 156.0
[M]+ 218.14135 145.5
[M]- 218.14245 145.5
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