CID 21729

Brn 0397146

Structural Information

Molecular Formula
C13H18N2S
SMILES
CC(CNC)C1=CNC2=C1C=C(C=C2)SC
InChI
InChI=1S/C13H18N2S/c1-9(7-14-2)12-8-15-13-5-4-10(16-3)6-11(12)13/h4-6,8-9,14-15H,7H2,1-3H3
InChIKey
VDETXFOHSKOBTI-UHFFFAOYSA-N
Compound name
N-methyl-2-(5-methylsulfanyl-1H-indol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 152.0
[M+Na]+ 257.10828 161.0
[M-H]- 233.11178 154.6
[M+NH4]+ 252.15288 171.8
[M+K]+ 273.08222 155.9
[M+H-H2O]+ 217.11632 146.0
[M+HCOO]- 279.11726 169.5
[M+CH3COO]- 293.13291 192.2
[M+Na-2H]- 255.09373 154.3
[M]+ 234.11851 155.0
[M]- 234.11961 155.0
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

No patent data available for this compound.