CID 172407746

Chebi:231776

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CN(C)CCC1=CC(=C(C(=C1)OC)O)O

InChI

InChI=1S/C11H17NO3/c1-12(2)5-4-8-6-9(13)11(14)10(7-8)15-3/h6-7,13-14H,4-5H2,1-3H3

InChIKey

BVJGRXXIMZTLKN-UHFFFAOYSA-N

Compound name

5-[2-(dimethylamino)ethyl]-3-methoxybenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.12085 Da
Monoisotopic Mass: 1.5
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]+	212.128126	146.4
[M+Na]+	234.110068	154.0
[M-H]-	210.113574	149.3
[M+NH4]+	229.154673	164.8
[M+K]+	250.084008	152.8
[M+H-H2O]+	194.118110	140.4
[M+HCOO]-	256.119051	169.4
[M+CH3COO]-	270.134701	190.2
[M+Na-2H]-	232.095516	149.9
[M]+	211.12030142	149.2
[M]-	211.12139858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.