CID 3084840

Normacromerine

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

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

InChI

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

InChIKey

QSUCQAULQIAOEP-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-2-(methylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 24
Patents: 211.12085 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]+	212.128126	146.8
[M+Na]+	234.110068	153.5
[M-H]-	210.113574	149.3
[M+NH4]+	229.154673	164.9
[M+K]+	250.084008	152.3
[M+H-H2O]+	194.118110	140.6
[M+HCOO]-	256.119051	169.9
[M+CH3COO]-	270.134701	188.9
[M+Na-2H]-	232.095516	151.0
[M]+	211.12030142	149.2
[M]-	211.12139858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe