CID 16643635

[2-amino-2-(3,4-dimethoxyphenyl)ethyl]dimethylamine dihydrochloride

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CN(C)CC(C1=CC(=C(C=C1)OC)OC)N
InChI
InChI=1S/C12H20N2O2/c1-14(2)8-10(13)9-5-6-11(15-3)12(7-9)16-4/h5-7,10H,8,13H2,1-4H3
InChIKey
NPBZJCDQBFZTQF-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 152.8
[M+Na]+ 247.14170 158.8
[M-H]- 223.14520 157.4
[M+NH4]+ 242.18630 171.2
[M+K]+ 263.11564 158.8
[M+H-H2O]+ 207.14974 145.7
[M+HCOO]- 269.15068 177.7
[M+CH3COO]- 283.16633 200.3
[M+Na-2H]- 245.12715 155.4
[M]+ 224.15193 155.5
[M]- 224.15303 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.