CID 4962379

851116-22-8

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)O
InChI
InChI=1S/C11H13NO4S/c1-7-5-9-6-8(11(13)14)3-4-10(9)12(7)17(2,15)16/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKey
CACJWHAAEBJJHE-UHFFFAOYSA-N
Compound name
2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06381 155.6
[M+Na]+ 278.04575 165.3
[M+NH4]+ 273.09035 162.0
[M+K]+ 294.01969 161.7
[M-H]- 254.04925 154.3
[M+Na-2H]- 276.03120 157.5
[M]+ 255.05598 156.8
[M]- 255.05708 156.8
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.