CID 425078

Alpha-(1-piperidino)cyclohexylbenzyl alcohol hydrochloride

Structural Information

Molecular Formula
C18H27NO
SMILES
C1CCC(CC1)(C(C2=CC=CC=C2)O)N3CCCCC3
InChI
InChI=1S/C18H27NO/c20-17(16-10-4-1-5-11-16)18(12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,17,20H,2-3,6-9,12-15H2
InChIKey
AJESULDYRGRWRS-UHFFFAOYSA-N
Compound name
phenyl-(1-piperidin-1-ylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 169.5
[M+Na]+ 296.19848 169.6
[M-H]- 272.20198 173.9
[M+NH4]+ 291.24308 184.0
[M+K]+ 312.17242 165.6
[M+H-H2O]+ 256.20652 159.9
[M+HCOO]- 318.20746 181.5
[M+CH3COO]- 332.22311 177.2
[M+Na-2H]- 294.18393 170.8
[M]+ 273.20871 158.3
[M]- 273.20981 158.3
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

patents stripe