CID 244537

6623-89-8

Structural Information

Molecular Formula

C₁₁H₅N₃O

SMILES

C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=O)N2

InChI

InChI=1S/C11H5N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4H,(H,14,15)

InChIKey

IXRCJYBQPZJHRZ-UHFFFAOYSA-N

Compound name

2-(2-oxo-1H-indol-3-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 29
Patents: 195.04326 Da
Monoisotopic Mass: 0.7
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]+	196.05054	171.7
[M+Na]+	218.03248	179.7
[M+NH4]+	213.07708	172.0
[M+K]+	234.00642	170.2
[M-H]-	194.03598	160.7
[M+Na-2H]-	216.01793	169.4
[M]+	195.04271	168.3
[M]-	195.04381	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe