CID 10200

1h-indole-3-thiol

Structural Information

Molecular Formula
C8H7NS
SMILES
C1=CC=C2C(=C1)C(=CN2)S
InChI
InChI=1S/C8H7NS/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
InChIKey
LYFRUBQVZGVXPR-UHFFFAOYSA-N
Compound name
1H-indole-3-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

491
Patents

149.02992 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03720 125.3
[M+Na]+ 172.01914 137.1
[M-H]- 148.02264 128.6
[M+NH4]+ 167.06374 148.8
[M+K]+ 187.99308 132.9
[M+H-H2O]+ 132.02718 120.5
[M+HCOO]- 194.02812 144.7
[M+CH3COO]- 208.04377 140.3
[M+Na-2H]- 170.00459 131.3
[M]+ 149.02937 127.6
[M]- 149.03047 127.6
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