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

9
Patents

195.06842 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07570 139.7
[M+Na]+ 218.05764 155.4
[M+NH4]+ 213.10224 149.7
[M+K]+ 234.03158 148.7
[M-H]- 194.06114 142.7
[M+Na-2H]- 216.04309 147.3
[M]+ 195.06787 142.9
[M]- 195.06897 142.9
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