CID 12244279

2-(1h-indol-3-yl)ethane-1-thiol

Structural Information

Molecular Formula
C10H11NS
SMILES
C1=CC=C2C(=C1)C(=CN2)CCS
InChI
InChI=1S/C10H11NS/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKey
CLQAPWVEHNTJLC-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

177.06122 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 134.4
[M+Na]+ 200.05044 145.3
[M-H]- 176.05394 137.3
[M+NH4]+ 195.09504 156.8
[M+K]+ 216.02438 140.6
[M+H-H2O]+ 160.05848 129.2
[M+HCOO]- 222.05942 153.1
[M+CH3COO]- 236.07507 148.6
[M+Na-2H]- 198.03589 139.4
[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.