CID 31513

Dimethophrine

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

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

InChI

InChI=1S/C11H17NO4/c1-12-6-8(13)7-4-9(15-2)11(14)10(5-7)16-3/h4-5,8,12-14H,6H2,1-3H3

InChIKey

ZKGDBJAHIIXDDW-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(methylamino)ethyl]-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 9
References: 924
Patents: 227.11575 Da
Monoisotopic Mass: 0.2
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]+	228.123026	149.7
[M+Na]+	250.104968	156.7
[M-H]-	226.108474	151.1
[M+NH4]+	245.149573	166.6
[M+K]+	266.078908	155.3
[M+H-H2O]+	210.113010	143.6
[M+HCOO]-	272.113951	171.4
[M+CH3COO]-	286.129601	189.9
[M+Na-2H]-	248.090416	152.8
[M]+	227.11520142	152.1
[M]-	227.11629858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe