CID 165868015

Chebi:231775

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CNCCC1=CC(=C(C(=C1)OC)O)O

InChI

InChI=1S/C10H15NO3/c1-11-4-3-7-5-8(12)10(13)9(6-7)14-2/h5-6,11-13H,3-4H2,1-2H3

InChIKey

IMNHSQPRLWZUGS-UHFFFAOYSA-N

Compound name

3-methoxy-5-[2-(methylamino)ethyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 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]+	198.112476	142.0
[M+Na]+	220.094418	149.8
[M-H]-	196.097924	143.5
[M+NH4]+	215.139023	160.3
[M+K]+	236.068358	147.5
[M+H-H2O]+	180.102460	136.3
[M+HCOO]-	242.103401	164.8
[M+CH3COO]-	256.119051	183.8
[M+Na-2H]-	218.079866	146.8
[M]+	197.10465142	143.2
[M]-	197.10574858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.