CID 13776759

1,5-dimethyl-2,3-dihydro-1h-indole-2-thione

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1=CC2=C(C=C1)N(C(=S)C2)C
InChI
InChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(12)11(9)2/h3-5H,6H2,1-2H3
InChIKey
WSFKMMIGMRNGOX-UHFFFAOYSA-N
Compound name
1,5-dimethyl-3H-indole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.06122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.068496 135.4
[M+Na]+ 200.050438 146.5
[M-H]- 176.053944 139.6
[M+NH4]+ 195.095043 158.7
[M+K]+ 216.024378 142.7
[M+H-H2O]+ 160.058480 130.4
[M+HCOO]- 222.059421 152.7
[M+CH3COO]- 236.075071 149.8
[M+Na-2H]- 198.035886 137.4
[M]+ 177.06067142 137.4
[M]- 177.06176858 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

patents stripe