CID 7131256

[3-(3,4-dimethoxyphenyl)propyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
CNCCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C12H19NO2/c1-13-8-4-5-10-6-7-11(14-2)12(9-10)15-3/h6-7,9,13H,4-5,8H2,1-3H3
InChIKey
LXFGWCHPPYFMGW-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

209.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 147.5
[M+Na]+ 232.130808 154.5
[M-H]- 208.134314 151.1
[M+NH4]+ 227.175413 166.6
[M+K]+ 248.104748 152.9
[M+H-H2O]+ 192.138850 141.0
[M+HCOO]- 254.139791 172.5
[M+CH3COO]- 268.155441 191.6
[M+Na-2H]- 230.116256 152.9
[M]+ 209.14104142 151.4
[M]- 209.14213858 151.4
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

patents stripe