CID 154700119

Ns00117828

Structural Information

Molecular Formula

C₁₀H₁₁NO₅S

SMILES

CON1C=C(C2=CC=CC=C21)COS(=O)(=O)O

InChI

InChI=1S/C10H11NO5S/c1-15-11-6-8(7-16-17(12,13)14)9-4-2-3-5-10(9)11/h2-6H,7H2,1H3,(H,12,13,14)

InChIKey

YSOOVZCCUFIEJJ-UHFFFAOYSA-N

Compound name

(1-methoxyindol-3-yl)methyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.0358 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.04308	152.4
[M+Na]+	280.02502	163.6
[M-H]-	256.02852	155.7
[M+NH4]+	275.06962	171.1
[M+K]+	295.99896	161.0
[M+H-H2O]+	240.03306	147.1
[M+HCOO]-	302.03400	170.7
[M+CH3COO]-	316.04965	186.8
[M+Na-2H]-	278.01047	158.1
[M]+	257.03525	160.8
[M]-	257.03635	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.