CID 24729233

4-ethyl-2,5-dimethoxy-.beta.-phenethylamine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CCC1=CC(=C(C=C1OC)CCN)OC
InChI
InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
InChIKey
VDRGNAMREYBIHA-UHFFFAOYSA-N
Compound name
2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

546
Patents

209.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.7
[M+Na]+ 232.13081 155.7
[M-H]- 208.13431 151.3
[M+NH4]+ 227.17541 166.9
[M+K]+ 248.10475 153.8
[M+H-H2O]+ 192.13885 141.5
[M+HCOO]- 254.13979 172.1
[M+CH3COO]- 268.15544 192.1
[M+Na-2H]- 230.11626 151.4
[M]+ 209.14104 151.0
[M]- 209.14214 151.0
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

patents stripe