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]+ 268.06380 163.3
[M+Na]+ 290.04574 177.4
[M+NH4]+ 285.09034 171.5
[M+K]+ 306.01968 173.1
[M-H]- 266.04924 173.0
[M+Na-2H]- 288.03119 170.6
[M]+ 267.05597 169.7
[M]- 267.05707 169.7
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.