CID 10888253

2-(methylsulfanyl)-1h-indole

Structural Information

Molecular Formula
C9H9NS
SMILES
CSC1=CC2=CC=CC=C2N1
InChI
InChI=1S/C9H9NS/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6,10H,1H3
InChIKey
SEINETSKRAZANU-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

163.04558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05286 129.9
[M+Na]+ 186.03480 141.2
[M-H]- 162.03830 132.9
[M+NH4]+ 181.07940 152.8
[M+K]+ 202.00874 136.8
[M+H-H2O]+ 146.04284 124.9
[M+HCOO]- 208.04378 148.9
[M+CH3COO]- 222.05943 144.5
[M+Na-2H]- 184.02025 135.3
[M]+ 163.04503 132.5
[M]- 163.04613 132.5
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