CID 840694

3,4-diethoxyphenethylamine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCOC1=C(C=C(C=C1)CCN)OCC
InChI
InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKey
YOUNXJAJHCCMNK-UHFFFAOYSA-N
Compound name
2-(3,4-diethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

209.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.0
[M+Na]+ 232.13081 155.1
[M-H]- 208.13431 151.2
[M+NH4]+ 227.17541 166.9
[M+K]+ 248.10475 153.1
[M+H-H2O]+ 192.13885 141.6
[M+HCOO]- 254.13979 172.5
[M+CH3COO]- 268.15544 190.9
[M+Na-2H]- 230.11626 152.4
[M]+ 209.14104 150.9
[M]- 209.14214 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.