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]+ 178.068496 134.4
[M+Na]+ 200.050438 145.3
[M-H]- 176.053944 137.3
[M+NH4]+ 195.095043 156.8
[M+K]+ 216.024378 140.6
[M+H-H2O]+ 160.058480 129.2
[M+HCOO]- 222.059421 153.1
[M+CH3COO]- 236.075071 148.6
[M+Na-2H]- 198.035886 139.4
[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

literature stripe

Patent stripe

patents stripe