CID 124202109

Indole-3-carboxilic acid-o-sulphate

Structural Information

Molecular Formula
C9H7NO5S
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)OS(=O)(=O)O
InChI
InChI=1S/C9H7NO5S/c11-9(15-16(12,13)14)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,12,13,14)
InChIKey
BXPGPYRRSKPDOZ-UHFFFAOYSA-N
Compound name
sulfo 1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.00449 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01177 148.5
[M+Na]+ 263.99371 158.7
[M+NH4]+ 259.03831 154.4
[M+K]+ 279.96765 155.5
[M-H]- 239.99721 146.5
[M+Na-2H]- 261.97916 151.9
[M]+ 241.00394 149.5
[M]- 241.00504 149.5
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.