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]+ 258.043076 152.6
[M+Na]+ 280.025018 162.8
[M-H]- 256.028524 153.0
[M+NH4]+ 275.069623 169.8
[M+K]+ 295.998958 158.5
[M+H-H2O]+ 240.033060 147.8
[M+HCOO]- 302.034001 167.8
[M+CH3COO]- 316.049651 182.1
[M+Na-2H]- 278.010466 157.6
[M]+ 257.03525142 157.3
[M]- 257.03634858 157.3
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.