CID 209510

2-(alpha-cyclohexylbenzyl)-3-piperidinol hydrochloride

Structural Information

Molecular Formula
C18H27NO
SMILES
C1CCC(CC1)C(C2C(CCCN2)O)C3=CC=CC=C3
InChI
InChI=1S/C18H27NO/c20-16-12-7-13-19-18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1,3-4,8-9,15-20H,2,5-7,10-13H2
InChIKey
LDUBLCJVDIXHKE-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(phenyl)methyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.2
[M+Na]+ 296.19848 167.8
[M-H]- 272.20198 171.2
[M+NH4]+ 291.24308 180.2
[M+K]+ 312.17242 162.6
[M+H-H2O]+ 256.20652 158.9
[M+HCOO]- 318.20746 178.7
[M+CH3COO]- 332.22311 175.2
[M+Na-2H]- 294.18393 167.6
[M]+ 273.20871 155.3
[M]- 273.20981 155.3
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.