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]+ 226.143766 150.4
[M+Na]+ 248.125708 158.0
[M-H]- 224.129214 154.5
[M+NH4]+ 243.170313 169.0
[M+K]+ 264.099648 157.5
[M+H-H2O]+ 208.133750 144.0
[M+HCOO]- 270.134691 174.7
[M+CH3COO]- 284.150341 195.7
[M+Na-2H]- 246.111156 154.0
[M]+ 225.13594142 155.5
[M]- 225.13703858 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.