CID 28505

17380-19-7

Structural Information

Molecular Formula
C11H8N2O
SMILES
CC(=O)C1=CNC2=C1C=C(C=C2)C#N
InChI
InChI=1S/C11H8N2O/c1-7(14)10-6-13-11-3-2-8(5-12)4-9(10)11/h2-4,6,13H,1H3
InChIKey
OZQLJNFXIPOLHE-UHFFFAOYSA-N
Compound name
3-acetyl-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 142.9
[M+Na]+ 207.05288 155.2
[M-H]- 183.05638 144.7
[M+NH4]+ 202.09748 161.6
[M+K]+ 223.02682 149.3
[M+H-H2O]+ 167.06092 130.1
[M+HCOO]- 229.06186 161.7
[M+CH3COO]- 243.07751 192.3
[M+Na-2H]- 205.03833 147.6
[M]+ 184.06311 138.5
[M]- 184.06421 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe