CID 46211

Alpha-cyclohexyl-alpha-(3-pyridyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)(C3=CN=CC=C3)O
InChI
InChI=1S/C18H21NO/c20-18(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1,3-4,7-9,12-14,16,20H,2,5-6,10-11H2
InChIKey
LEUPXIIELZPJKC-UHFFFAOYSA-N
Compound name
cyclohexyl-phenyl-pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.9
[M+Na]+ 290.15154 179.7
[M+NH4]+ 285.19614 175.0
[M+K]+ 306.12548 171.4
[M-H]- 266.15504 171.7
[M+Na-2H]- 288.13699 176.5
[M]+ 267.16177 169.6
[M]- 267.16287 169.6
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