CID 9815282

4-hydroxyindole-3-carboxaldehyde

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)C=O
InChI
InChI=1S/C9H7NO2/c11-5-6-4-10-7-2-1-3-8(12)9(6)7/h1-5,10,12H
InChIKey
QLBZIZLLMNWTHG-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

161.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 129.1
[M+Na]+ 184.03690 140.2
[M-H]- 160.04040 130.8
[M+NH4]+ 179.08150 150.6
[M+K]+ 200.01084 136.0
[M+H-H2O]+ 144.04494 123.9
[M+HCOO]- 206.04588 152.2
[M+CH3COO]- 220.06153 171.4
[M+Na-2H]- 182.02235 136.7
[M]+ 161.04713 129.8
[M]- 161.04823 129.8
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