CID 3068130

83010-36-0

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9/h2-4,6,12-14H,1,5,7H2

InChIKey

RRFSQNACACZZLZ-UHFFFAOYSA-N

Compound name

4-(1,2,3,6-tetrahydropyridin-5-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.09464 Da
Monoisotopic Mass: 1.0
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]+	192.101916	141.5
[M+Na]+	214.083858	147.9
[M-H]-	190.087364	142.7
[M+NH4]+	209.128463	157.5
[M+K]+	230.057798	143.3
[M+H-H2O]+	174.091900	134.8
[M+HCOO]-	236.092841	158.6
[M+CH3COO]-	250.108491	175.1
[M+Na-2H]-	212.069306	146.4
[M]+	191.09409142	135.3
[M]-	191.09518858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe