CID 15290857

2-(1h-indol-5-yl)acetonitrile

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

C1=CC2=C(C=CN2)C=C1CC#N

InChI

InChI=1S/C10H8N2/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,12H,3H2

InChIKey

OXUQBDQMQTZQPK-UHFFFAOYSA-N

Compound name

2-(1H-indol-5-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 156.06874 Da
Monoisotopic Mass: 2.0
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]+	157.07602	134.7
[M+Na]+	179.05796	146.8
[M-H]-	155.06146	136.2
[M+NH4]+	174.10256	154.4
[M+K]+	195.03190	140.6
[M+H-H2O]+	139.06600	121.9
[M+HCOO]-	201.06694	154.4
[M+CH3COO]-	215.08259	147.1
[M+Na-2H]-	177.04341	141.8
[M]+	156.06819	129.7
[M]-	156.06929	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe