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 152.6
[M+Na]+ 280.02502 162.8
[M-H]- 256.02852 153.0
[M+NH4]+ 275.06962 169.8
[M+K]+ 295.99896 158.5
[M+H-H2O]+ 240.03306 147.8
[M+HCOO]- 302.03400 167.8
[M+CH3COO]- 316.04965 182.1
[M+Na-2H]- 278.01047 157.6
[M]+ 257.03525 157.3
[M]- 257.03635 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.