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 150.4
[M+Na]+ 248.12571 158.0
[M-H]- 224.12921 154.5
[M+NH4]+ 243.17031 169.0
[M+K]+ 264.09965 157.5
[M+H-H2O]+ 208.13375 144.0
[M+HCOO]- 270.13469 174.7
[M+CH3COO]- 284.15034 195.7
[M+Na-2H]- 246.11116 154.0
[M]+ 225.13594 155.5
[M]- 225.13704 155.5
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.