CID 12006736

2,5-dimethoxy-4-ethylthioamphetamine, (r)-

Structural Information

Molecular Formula
C13H21NO2S
SMILES
CCSC1=C(C=C(C(=C1)OC)C[C@@H](C)N)OC
InChI
InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3/t9-/m1/s1
InChIKey
MCYCODJKXUJSAT-SECBINFHSA-N
Compound name
(2R)-1-(4-ethylsulfanyl-2,5-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

255.1293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13658 158.6
[M+Na]+ 278.11852 165.6
[M-H]- 254.12202 161.9
[M+NH4]+ 273.16312 176.2
[M+K]+ 294.09246 162.7
[M+H-H2O]+ 238.12656 151.9
[M+HCOO]- 300.12750 176.1
[M+CH3COO]- 314.14315 199.7
[M+Na-2H]- 276.10397 157.6
[M]+ 255.12875 163.6
[M]- 255.12985 163.6
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