CID 46211

Dtxsid90981793

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: 9
Patents: 267.16232 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.169596	163.6
[M+Na]+	290.151538	166.5
[M-H]-	266.155044	169.0
[M+NH4]+	285.196143	176.7
[M+K]+	306.125478	161.5
[M+H-H2O]+	250.159580	154.3
[M+HCOO]-	312.160521	179.3
[M+CH3COO]-	326.176171	172.9
[M+Na-2H]-	288.136986	169.2
[M]+	267.16177142	156.5
[M]-	267.16286858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe