CID 2761116

6-(methylsulfonyl)-1-(oxiran-2-ylmethoxy)-1h-indole

Structural Information

Molecular Formula
C12H13NO4S
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)C=CN2OCC3CO3
InChI
InChI=1S/C12H13NO4S/c1-18(14,15)11-3-2-9-4-5-13(12(9)6-11)17-8-10-7-16-10/h2-6,10H,7-8H2,1H3
InChIKey
NDVMFMDJQZWZJJ-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-1-(oxiran-2-ylmethoxy)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05652 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.063796 156.7
[M+Na]+ 290.045738 169.5
[M-H]- 266.049244 165.4
[M+NH4]+ 285.090343 169.7
[M+K]+ 306.019678 166.5
[M+H-H2O]+ 250.053780 150.8
[M+HCOO]- 312.054721 175.0
[M+CH3COO]- 326.070371 194.6
[M+Na-2H]- 288.031186 162.3
[M]+ 267.05597142 167.4
[M]- 267.05706858 167.4
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.