CID 510123

1-(2-azidoethyl)indole-4,7-diol

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

C1=CC(=C2C(=C1O)C=CN2CCN=[N+]=[N-])O

InChI

InChI=1S/C10H10N4O2/c11-13-12-4-6-14-5-3-7-8(15)1-2-9(16)10(7)14/h1-3,5,15-16H,4,6H2

InChIKey

WDAJCFXPQMHINF-UHFFFAOYSA-N

Compound name

1-(2-azidoethyl)indole-4,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: 2.1
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]+	219.08765	141.4
[M+Na]+	241.06959	150.6
[M-H]-	217.07309	145.7
[M+NH4]+	236.11419	160.6
[M+K]+	257.04353	142.5
[M+H-H2O]+	201.07763	139.0
[M+HCOO]-	263.07857	170.6
[M+CH3COO]-	277.09422	186.2
[M+Na-2H]-	239.05504	152.3
[M]+	218.07982	141.2
[M]-	218.08092	141.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.