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

153
Patents

197.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 140.8
[M+Na]+ 220.040278 150.4
[M-H]- 196.043784 143.2
[M+NH4]+ 215.084883 161.9
[M+K]+ 236.014218 146.7
[M+H-H2O]+ 180.048320 136.1
[M+HCOO]- 242.049261 156.1
[M+CH3COO]- 256.064911 176.8
[M+Na-2H]- 218.025726 145.2
[M]+ 197.05051142 141.5
[M]- 197.05160858 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