CID 116481

2,5-dimethoxy-n,n-dimethylphenethylamine hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
CN(C)CCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C12H19NO2/c1-13(2)8-7-10-9-11(14-3)5-6-12(10)15-4/h5-6,9H,7-8H2,1-4H3
InChIKey
FLGXFZDJPYGBNA-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 147.4
[M+Na]+ 232.13081 154.6
[M-H]- 208.13431 152.6
[M+NH4]+ 227.17541 167.2
[M+K]+ 248.10475 154.4
[M+H-H2O]+ 192.13885 140.8
[M+HCOO]- 254.13979 173.0
[M+CH3COO]- 268.15544 195.1
[M+Na-2H]- 230.11626 152.1
[M]+ 209.14104 152.6
[M]- 209.14214 152.6
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.