CID 3068134

83010-64-4

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CNCC(=C1)C2=CC(=CC=C2)O

InChI

InChI=1S/C11H13NO/c13-11-5-1-3-9(7-11)10-4-2-6-12-8-10/h1,3-5,7,12-13H,2,6,8H2

InChIKey

DJOVLJGDFFCWHC-UHFFFAOYSA-N

Compound name

3-(1,2,3,6-tetrahydropyridin-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 175.09972 Da
Monoisotopic Mass: 1.3
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]+	176.10700	137.7
[M+Na]+	198.08894	143.7
[M-H]-	174.09244	139.9
[M+NH4]+	193.13354	154.9
[M+K]+	214.06288	139.4
[M+H-H2O]+	158.09698	130.7
[M+HCOO]-	220.09792	156.2
[M+CH3COO]-	234.11357	149.3
[M+Na-2H]-	196.07439	143.8
[M]+	175.09917	131.5
[M]-	175.10027	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe