CID 141047

2,4-dimethoxyamphetamine

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(CC1=C(C=C(C=C1)OC)OC)N
InChI
InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)7-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
InChIKey
DQWOZMUBHQPFFF-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

317
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 143.9
[M+Na]+ 218.115148 151.2
[M-H]- 194.118654 147.4
[M+NH4]+ 213.159753 163.3
[M+K]+ 234.089088 150.0
[M+H-H2O]+ 178.123190 137.8
[M+HCOO]- 240.124131 167.7
[M+CH3COO]- 254.139781 188.7
[M+Na-2H]- 216.100596 147.6
[M]+ 195.12538142 145.8
[M]- 195.12647858 145.8
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