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

1
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

patents stripe