CID 3065069

1-piperazineethanol, 4-(5-cyclohexyl-2-hydroxybenzyl)-

Structural Information

Molecular Formula
C19H30N2O2
SMILES
C1CCC(CC1)C2=CC(=C(C=C2)O)CN3CCN(CC3)CCO
InChI
InChI=1S/C19H30N2O2/c22-13-12-20-8-10-21(11-9-20)15-18-14-17(6-7-19(18)23)16-4-2-1-3-5-16/h6-7,14,16,22-23H,1-5,8-13,15H2
InChIKey
UNUGXPIEGJCPDN-UHFFFAOYSA-N
Compound name
4-cyclohexyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 181.0
[M+Na]+ 341.219958 182.2
[M-H]- 317.223464 183.0
[M+NH4]+ 336.264563 190.4
[M+K]+ 357.193898 176.8
[M+H-H2O]+ 301.228000 170.5
[M+HCOO]- 363.228941 190.9
[M+CH3COO]- 377.244591 203.0
[M+Na-2H]- 339.205406 179.7
[M]+ 318.23019142 171.8
[M]- 318.23128858 171.8
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

No patent data available for this compound.