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]+ 225.159756 152.8
[M+Na]+ 247.141698 158.8
[M-H]- 223.145204 157.4
[M+NH4]+ 242.186303 171.2
[M+K]+ 263.115638 158.8
[M+H-H2O]+ 207.149740 145.7
[M+HCOO]- 269.150681 177.7
[M+CH3COO]- 283.166331 200.3
[M+Na-2H]- 245.127146 155.4
[M]+ 224.15193142 155.5
[M]- 224.15302858 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.