CID 230282

3-cyanoindole

Structural Information

Molecular Formula
C9H6N2
SMILES
C1=CC=C2C(=C1)C(=CN2)C#N
InChI
InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey
CHIFTAQVXHNVRW-UHFFFAOYSA-N
Compound name
1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1676
Patents

142.0531 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06038 130.7
[M+Na]+ 165.04232 144.1
[M+NH4]+ 160.08692 136.7
[M+K]+ 181.01626 135.4
[M-H]- 141.04582 125.5
[M+Na-2H]- 163.02777 135.6
[M]+ 142.05255 130.4
[M]- 142.05365 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe