CID 89183760

1-methyl-1h-indole-7-thiol

Structural Information

Molecular Formula
C9H9NS
SMILES
CN1C=CC2=C1C(=CC=C2)S
InChI
InChI=1S/C9H9NS/c1-10-6-5-7-3-2-4-8(11)9(7)10/h2-6,11H,1H3
InChIKey
PUAXFZQURPCASQ-UHFFFAOYSA-N
Compound name
1-methylindole-7-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

163.04558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05286 129.4
[M+Na]+ 186.03480 142.0
[M-H]- 162.03830 134.2
[M+NH4]+ 181.07940 153.3
[M+K]+ 202.00874 138.5
[M+H-H2O]+ 146.04284 124.3
[M+HCOO]- 208.04378 149.8
[M+CH3COO]- 222.05943 145.0
[M+Na-2H]- 184.02025 134.5
[M]+ 163.04503 134.2
[M]- 163.04613 134.2
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.