CID 6082

Methoxamine

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

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

InChI

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

InChIKey

WJAJPNHVVFWKKL-UHFFFAOYSA-N

Compound name

2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2329
References: 7119
Patents: 211.12085 Da
Monoisotopic Mass: 0.5
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]+	212.12813	147.2
[M+Na]+	234.11007	157.3
[M+NH4]+	229.15467	154.1
[M+K]+	250.08401	153.3
[M-H]-	210.11357	148.2
[M+Na-2H]-	232.09552	151.5
[M]+	211.12030	148.7
[M]-	211.12140	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe