CID 26157

13637-41-7

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1C2=CC=CC=C2N(C1=S)C
InChI
InChI=1S/C10H11NS/c1-7-8-5-3-4-6-9(8)11(2)10(7)12/h3-7H,1-2H3
InChIKey
TYFJUZPJHYOUES-UHFFFAOYSA-N
Compound name
1,3-dimethyl-3H-indole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

177.06122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 135.4
[M+Na]+ 200.05044 146.5
[M-H]- 176.05394 139.6
[M+NH4]+ 195.09504 158.7
[M+K]+ 216.02438 142.7
[M+H-H2O]+ 160.05848 130.4
[M+HCOO]- 222.05942 152.7
[M+CH3COO]- 236.07507 149.8
[M+Na-2H]- 198.03589 137.4
[M]+ 177.06067 137.4
[M]- 177.06177 137.4
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.