CID 57478611

N,n-dimethyl-3-hydroxy-4,5-dimethoxyphenethylamine

Structural Information

Molecular Formula
C12H19NO3
SMILES
CN(C)CCC1=CC(=C(C(=C1)OC)OC)O
InChI
InChI=1S/C12H19NO3/c1-13(2)6-5-9-7-10(14)12(16-4)11(8-9)15-3/h7-8,14H,5-6H2,1-4H3
InChIKey
INYMWXUUZSMPQM-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 150.7
[M+Na]+ 248.12571 162.2
[M+NH4]+ 243.17031 158.1
[M+K]+ 264.09965 156.8
[M-H]- 224.12921 152.7
[M+Na-2H]- 246.11116 156.0
[M]+ 225.13594 152.8
[M]- 225.13704 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.