CID 44237266

5-hydroxytryptophol sulfate

Structural Information

Molecular Formula
C10H11NO5S
SMILES
C1=CC2=C(C=C1OS(=O)(=O)O)C(=CN2)CCO
InChI
InChI=1S/C10H11NO5S/c12-4-3-7-6-11-10-2-1-8(5-9(7)10)16-17(13,14)15/h1-2,5-6,11-12H,3-4H2,(H,13,14,15)
InChIKey
FOCUAJYUOXSNDS-UHFFFAOYSA-N
Compound name
[3-(2-hydroxyethyl)-1H-indol-5-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

257.0358 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04308 153.8
[M+Na]+ 280.02502 163.9
[M+NH4]+ 275.06962 159.5
[M+K]+ 295.99896 160.3
[M-H]- 256.02852 151.8
[M+Na-2H]- 278.01047 156.5
[M]+ 257.03525 154.8
[M]- 257.03635 154.8
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.