CID 21973

Brn 2809099

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

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

InChI

InChI=1S/C13H21NO3/c1-9(2)14-8-11(15)10-5-6-12(16-3)13(7-10)17-4/h5-7,9,11,14-15H,8H2,1-4H3

InChIKey

MVTHUHYTFNDNEO-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.15215 Da
Monoisotopic Mass: 2.0
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]+	240.15943	156.1
[M+Na]+	262.14137	166.0
[M+NH4]+	257.18597	162.8
[M+K]+	278.11531	161.3
[M-H]-	238.14487	157.2
[M+Na-2H]-	260.12682	160.3
[M]+	239.15160	157.5
[M]-	239.15270	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe