CID 542036

2,5-dimethoxy-4-chloroamphetamine

Structural Information

Molecular Formula
C11H16ClNO2
SMILES
CC(CC1=CC(=C(C=C1OC)Cl)OC)N
InChI
InChI=1S/C11H16ClNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey
ACRITBNCBMTINK-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

190
Patents

229.08696 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09424 149.5
[M+Na]+ 252.07618 158.5
[M-H]- 228.07968 153.2
[M+NH4]+ 247.12078 168.7
[M+K]+ 268.05012 155.3
[M+H-H2O]+ 212.08422 144.6
[M+HCOO]- 274.08516 168.8
[M+CH3COO]- 288.10081 193.7
[M+Na-2H]- 250.06163 152.1
[M]+ 229.08641 153.9
[M]- 229.08751 153.9
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