CID 3068138

83010-53-1

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CCN1CCC=C(C1)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H17NO/c1-2-14-8-4-6-12(10-14)11-5-3-7-13(15)9-11/h3,5-7,9,15H,2,4,8,10H2,1H3

InChIKey

FGCLZQLCRQRTJG-UHFFFAOYSA-N

Compound name

3-(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.13101 Da
Monoisotopic Mass: 2.1
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]+	204.13829	146.2
[M+Na]+	226.12023	152.7
[M-H]-	202.12373	149.9
[M+NH4]+	221.16483	163.3
[M+K]+	242.09417	148.9
[M+H-H2O]+	186.12827	138.7
[M+HCOO]-	248.12921	165.5
[M+CH3COO]-	262.14486	184.0
[M+Na-2H]-	224.10568	151.0
[M]+	203.13046	142.9
[M]-	203.13156	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe