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

20
Patents

163.04558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.052856 129.4
[M+Na]+ 186.034798 142.0
[M-H]- 162.038304 134.2
[M+NH4]+ 181.079403 153.3
[M+K]+ 202.008738 138.5
[M+H-H2O]+ 146.042840 124.3
[M+HCOO]- 208.043781 149.8
[M+CH3COO]- 222.059431 145.0
[M+Na-2H]- 184.020246 134.5
[M]+ 163.04503142 134.2
[M]- 163.04612858 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

patents stripe