CID 21180

5-methylthiodimethyltryptamine

Structural Information

Molecular Formula
C13H18N2S
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)SC
InChI
InChI=1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKey
YOGJZQGRTVMCPY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

135
Patents

234.11906 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 152.1
[M+Na]+ 257.10828 161.5
[M-H]- 233.11178 156.1
[M+NH4]+ 252.15288 172.7
[M+K]+ 273.08222 157.4
[M+H-H2O]+ 217.11632 145.8
[M+HCOO]- 279.11726 171.1
[M+CH3COO]- 293.13291 194.8
[M+Na-2H]- 255.09373 154.7
[M]+ 234.11851 156.9
[M]- 234.11961 156.9
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