CID 98617

1h-benzo[g]indole

Structural Information

Molecular Formula
C12H9N
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC=C3
InChI
InChI=1S/C12H9N/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8,13H
InChIKey
HIYWOHBEPVGIQN-UHFFFAOYSA-N
Compound name
1H-benzo[g]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7356
Patents

167.0735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08078 131.6
[M+Na]+ 190.06272 142.3
[M-H]- 166.06622 135.1
[M+NH4]+ 185.10732 154.3
[M+K]+ 206.03666 136.9
[M+H-H2O]+ 150.07076 125.5
[M+HCOO]- 212.07170 154.4
[M+CH3COO]- 226.08735 145.9
[M+Na-2H]- 188.04817 141.7
[M]+ 167.07295 131.4
[M]- 167.07405 131.4
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

No patent data available for this compound.