CID 384839

Nsc675357

Structural Information

Molecular Formula
C11H15NO6S2
SMILES
CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C
InChI
InChI=1S/C11H15NO6S2/c1-19(14,15)12-6-8(7-18-20(2,16)17)10-4-3-9(13)5-11(10)12/h3-5,8,13H,6-7H2,1-2H3
InChIKey
MGSFQEKQIZNGMP-UHFFFAOYSA-N
Compound name
(6-hydroxy-1-methylsulfonyl-2,3-dihydroindol-3-yl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.0341 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04138 170.1
[M+Na]+ 344.02332 179.5
[M-H]- 320.02682 172.1
[M+NH4]+ 339.06792 186.0
[M+K]+ 359.99726 175.7
[M+H-H2O]+ 304.03136 165.9
[M+HCOO]- 366.03230 178.6
[M+CH3COO]- 380.04795 197.5
[M+Na-2H]- 342.00877 173.3
[M]+ 321.03355 176.8
[M]- 321.03465 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.