CID 91731111

3,3-dimethyl-2-(methylsulfanyl)-3h-indole

Structural Information

Molecular Formula
C11H13NS
SMILES
CC1(C2=CC=CC=C2N=C1SC)C
InChI
InChI=1S/C11H13NS/c1-11(2)8-6-4-5-7-9(8)12-10(11)13-3/h4-7H,1-3H3
InChIKey
HKTYYQMNFNOMBY-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-methylsulfanylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07687 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08415 138.7
[M+Na]+ 214.06609 150.3
[M-H]- 190.06959 143.1
[M+NH4]+ 209.11069 163.5
[M+K]+ 230.04003 146.8
[M+H-H2O]+ 174.07413 133.9
[M+HCOO]- 236.07507 157.1
[M+CH3COO]- 250.09072 153.4
[M+Na-2H]- 212.05154 143.3
[M]+ 191.07632 143.1
[M]- 191.07742 143.1
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.