CID 210779

21602-68-6

Structural Information

Molecular Formula
C18H28N2O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCN(CC3)CCO
InChI
InChI=1S/C18H28N2O/c21-16-15-19-11-13-20(14-12-19)18(9-5-2-6-10-18)17-7-3-1-4-8-17/h1,3-4,7-8,21H,2,5-6,9-16H2
InChIKey
LRUMEEFGVXEGCN-UHFFFAOYSA-N
Compound name
2-[4-(1-phenylcyclohexyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 175.1
[M+Na]+ 311.20937 186.7
[M+NH4]+ 306.25397 184.8
[M+K]+ 327.18331 176.5
[M-H]- 287.21287 180.1
[M+Na-2H]- 309.19482 183.6
[M]+ 288.21960 178.2
[M]- 288.22070 178.2
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.