CID 379533

Nsc664206

Structural Information

Molecular Formula
C11H13NOS2
SMILES
CN1C2=CC=CC=C2C(=C1SC)S(=O)C
InChI
InChI=1S/C11H13NOS2/c1-12-9-7-5-4-6-8(9)10(15(3)13)11(12)14-2/h4-7H,1-3H3
InChIKey
HWEHHJSDALVSHI-UHFFFAOYSA-N
Compound name
1-methyl-2-methylsulfanyl-3-methylsulfinylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05113 147.6
[M+Na]+ 262.03307 159.9
[M-H]- 238.03657 152.1
[M+NH4]+ 257.07767 168.7
[M+K]+ 278.00701 155.1
[M+H-H2O]+ 222.04111 142.7
[M+HCOO]- 284.04205 160.9
[M+CH3COO]- 298.05770 191.1
[M+Na-2H]- 260.01852 148.1
[M]+ 239.04330 154.6
[M]- 239.04440 154.6
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.