CID 71632

Dioxethedrin

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CCNC(C)C(C1=CC(=C(C=C1)O)O)O

InChI

InChI=1S/C11H17NO3/c1-3-12-7(2)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-15H,3H2,1-2H3

InChIKey

OHDICGSRVLBVLC-UHFFFAOYSA-N

Compound name

4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1018
Patents: 211.12085 Da
Monoisotopic Mass: 0.0
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]+	212.128126	148.2
[M+Na]+	234.110068	153.7
[M-H]-	210.113574	147.9
[M+NH4]+	229.154673	164.8
[M+K]+	250.084008	151.3
[M+H-H2O]+	194.118110	142.6
[M+HCOO]-	256.119051	167.2
[M+CH3COO]-	270.134701	185.1
[M+Na-2H]-	232.095516	150.1
[M]+	211.12030142	146.2
[M]-	211.12139858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe