CID 22378615

N-methyl-3-methoxytyramine

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CNCCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C10H15NO2/c1-11-6-5-8-3-4-9(12)10(7-8)13-2/h3-4,7,11-12H,5-6H2,1-2H3

InChIKey

VGPSEFMDUHBQNN-UHFFFAOYSA-N

Compound name

2-methoxy-4-[2-(methylamino)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 181.11028 Da
Monoisotopic Mass: 0.7
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]+	182.11756	138.7
[M+Na]+	204.09950	146.2
[M-H]-	180.10300	141.4
[M+NH4]+	199.14410	158.3
[M+K]+	220.07344	144.2
[M+H-H2O]+	164.10754	132.9
[M+HCOO]-	226.10848	162.9
[M+CH3COO]-	240.12413	182.9
[M+Na-2H]-	202.08495	144.8
[M]+	181.10973	140.0
[M]-	181.11083	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe