CID 201046

3145-29-7

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC1C(CCCN1C)(C)C2=CC(=CC=C2)O

InChI

InChI=1S/C14H21NO/c1-11-14(2,8-5-9-15(11)3)12-6-4-7-13(16)10-12/h4,6-7,10-11,16H,5,8-9H2,1-3H3

InChIKey

JQWNYUAVRUYHOA-UHFFFAOYSA-N

Compound name

3-(1,2,3-trimethylpiperidin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 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]+	220.169586	151.5
[M+Na]+	242.151528	158.5
[M-H]-	218.155034	155.5
[M+NH4]+	237.196133	170.4
[M+K]+	258.125468	155.1
[M+H-H2O]+	202.159570	144.7
[M+HCOO]-	264.160511	169.1
[M+CH3COO]-	278.176161	188.0
[M+Na-2H]-	240.136976	155.2
[M]+	219.16176142	147.9
[M]-	219.16285858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe