CID 13683

Dioxifedrine

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CC(C(C1=CC(=C(C=C1)O)O)O)NC

InChI

InChI=1S/C10H15NO3/c1-6(11-2)10(14)7-3-4-8(12)9(13)5-7/h3-6,10-14H,1-2H3

InChIKey

DDBFLXGTCAVAFD-UHFFFAOYSA-N

Compound name

4-[1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 213
Patents: 197.1052 Da
Monoisotopic Mass: -0.3
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	143.6
[M+Na]+	220.094418	149.6
[M-H]-	196.097924	143.5
[M+NH4]+	215.139023	160.8
[M+K]+	236.068358	147.4
[M+H-H2O]+	180.102460	138.2
[M+HCOO]-	242.103401	162.9
[M+CH3COO]-	256.119051	182.0
[M+Na-2H]-	218.079866	146.0
[M]+	197.10465142	141.3
[M]-	197.10574858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe