CID 61054301

2-phenyl-2-(piperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CCN1)C(CO)C2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c15-10-12(11-4-2-1-3-5-11)14-8-6-13-7-9-14/h1-5,12-13,15H,6-10H2
InChIKey
CPPBQCJPEHLWEK-UHFFFAOYSA-N
Compound name
2-phenyl-2-piperazin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.7
[M+Na]+ 229.13112 151.9
[M-H]- 205.13462 148.5
[M+NH4]+ 224.17572 162.7
[M+K]+ 245.10506 147.9
[M+H-H2O]+ 189.13916 140.2
[M+HCOO]- 251.14010 162.9
[M+CH3COO]- 265.15575 180.2
[M+Na-2H]- 227.11657 152.8
[M]+ 206.14135 140.8
[M]- 206.14245 140.8
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