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

7548
Patents

167.0735 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.080776 131.6
[M+Na]+ 190.062718 142.3
[M-H]- 166.066224 135.1
[M+NH4]+ 185.107323 154.3
[M+K]+ 206.036658 136.9
[M+H-H2O]+ 150.070760 125.5
[M+HCOO]- 212.071701 154.4
[M+CH3COO]- 226.087351 145.9
[M+Na-2H]- 188.048166 141.7
[M]+ 167.07295142 131.4
[M]- 167.07404858 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

literature stripe

Patent stripe

patents stripe