CID 3045736

61098-52-0

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC1C2CCCC1(CN2C)C3=CC(=CC=C3)O

InChI

InChI=1S/C15H21NO/c1-11-14-7-4-8-15(11,10-16(14)2)12-5-3-6-13(17)9-12/h3,5-6,9,11,14,17H,4,7-8,10H2,1-2H3

InChIKey

GETRQXWXJRSCAP-UHFFFAOYSA-N

Compound name

3-(6,8-dimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 231.16231 Da
Monoisotopic Mass: 3.1
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]+	232.169586	155.2
[M+Na]+	254.151528	162.4
[M-H]-	230.155034	158.5
[M+NH4]+	249.196133	176.9
[M+K]+	270.125468	157.9
[M+H-H2O]+	214.159570	148.7
[M+HCOO]-	276.160511	171.3
[M+CH3COO]-	290.176161	166.7
[M+Na-2H]-	252.136976	158.4
[M]+	231.16176142	151.9
[M]-	231.16285858	151.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.