CID 2736136

387350-92-7

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)NCC2
InChI
InChI=1S/C9H11NO2S/c1-13(11,12)8-2-3-9-7(6-8)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKey
OFYOHQMIBTVTKY-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

197.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 140.8
[M+Na]+ 220.04028 150.4
[M-H]- 196.04378 143.2
[M+NH4]+ 215.08488 161.9
[M+K]+ 236.01422 146.7
[M+H-H2O]+ 180.04832 136.1
[M+HCOO]- 242.04926 156.1
[M+CH3COO]- 256.06491 176.8
[M+Na-2H]- 218.02573 145.2
[M]+ 197.05051 141.5
[M]- 197.05161 141.5
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