CID 4437769

1h-benzo[g]indole-3-carboxaldehyde

Structural Information

Molecular Formula
C13H9NO
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC=C3C=O
InChI
InChI=1S/C13H9NO/c15-8-10-7-14-13-11-4-2-1-3-9(11)5-6-12(10)13/h1-8,14H
InChIKey
NYIGHGXJJVOYCQ-UHFFFAOYSA-N
Compound name
1H-benzo[g]indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.06842 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.075696 138.9
[M+Na]+ 218.057638 150.3
[M-H]- 194.061144 142.7
[M+NH4]+ 213.102243 160.7
[M+K]+ 234.031578 144.6
[M+H-H2O]+ 178.065680 132.8
[M+HCOO]- 240.066621 161.8
[M+CH3COO]- 254.082271 153.1
[M+Na-2H]- 216.043086 147.7
[M]+ 195.06787142 140.3
[M]- 195.06896858 140.3
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