CID 2063458

3-(3-formyl-1h-indol-1-yl)propanenitrile

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C=O

InChI

InChI=1S/C12H10N2O/c13-6-3-7-14-8-10(9-15)11-4-1-2-5-12(11)14/h1-2,4-5,8-9H,3,7H2

InChIKey

UTWRGCLFZOWWSI-UHFFFAOYSA-N

Compound name

3-(3-formylindol-1-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.07932 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]+	199.08660	144.4
[M+Na]+	221.06854	157.7
[M+NH4]+	216.11314	149.5
[M+K]+	237.04248	148.6
[M-H]-	197.07204	138.9
[M+Na-2H]-	219.05399	148.3
[M]+	198.07877	143.9
[M]-	198.07987	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe