CID 55300242

865375-46-8

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C=CC1=CC2=C(C=C1)C=CN2

InChI

InChI=1S/C10H9N/c1-2-8-3-4-9-5-6-11-10(9)7-8/h2-7,11H,1H2

InChIKey

MDAMSCNARAPEIQ-UHFFFAOYSA-N

Compound name

6-ethenyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 143.0735 Da
Monoisotopic Mass: 3.7
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]+	144.080776	126.9
[M+Na]+	166.062718	137.3
[M-H]-	142.066224	129.4
[M+NH4]+	161.107323	149.7
[M+K]+	182.036658	132.7
[M+H-H2O]+	126.070760	121.3
[M+HCOO]-	188.071701	150.8
[M+CH3COO]-	202.087351	141.5
[M+Na-2H]-	164.048166	135.2
[M]+	143.07295142	126.6
[M]-	143.07404858	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe