CID 96699

2-(4-phenylpiperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CCN1CCO)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c15-11-10-13-6-8-14(9-7-13)12-4-2-1-3-5-12/h1-5,15H,6-11H2
InChIKey
GTMIXYICYSFTRJ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

158
Patents

206.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.3
[M+Na]+ 229.13112 153.2
[M-H]- 205.13462 149.8
[M+NH4]+ 224.17572 163.4
[M+K]+ 245.10506 149.6
[M+H-H2O]+ 189.13916 139.6
[M+HCOO]- 251.14010 165.1
[M+CH3COO]- 265.15575 182.9
[M+Na-2H]- 227.11657 153.3
[M]+ 206.14135 143.3
[M]- 206.14245 143.3
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