CID 3261601

2-(4-benzoyl-1-piperazinyl)ethanol

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKey
DBMBIBSNWGXLHE-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

234.13683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.5
[M+Na]+ 257.12605 167.0
[M+NH4]+ 252.17065 162.6
[M+K]+ 273.09999 160.8
[M-H]- 233.12955 157.4
[M+Na-2H]- 255.11150 161.6
[M]+ 234.13628 157.4
[M]- 234.13738 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe