CID 85875

2,5-dimethoxy-4-methylamphetamine

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC1=CC(=C(C=C1OC)CC(C)N)OC
InChI
InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
InChIKey
NTJQREUGJKIARY-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

371
References

945
Patents

209.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.1
[M+Na]+ 232.13081 155.8
[M-H]- 208.13431 151.7
[M+NH4]+ 227.17541 167.2
[M+K]+ 248.10475 154.4
[M+H-H2O]+ 192.13885 142.0
[M+HCOO]- 254.13979 171.5
[M+CH3COO]- 268.15544 193.0
[M+Na-2H]- 230.11626 150.5
[M]+ 209.14104 150.7
[M]- 209.14214 150.7
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