CID 10103438

6-hydroxy-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC2=C(C=C1O)NC=C2C=O
InChI
InChI=1S/C9H7NO2/c11-5-6-4-10-9-3-7(12)1-2-8(6)9/h1-5,10,12H
InChIKey
FAFBOYSDWMRMLQ-UHFFFAOYSA-N
Compound name
6-hydroxy-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

16
Patents

161.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 130.2
[M+Na]+ 184.03690 143.6
[M+NH4]+ 179.08150 138.5
[M+K]+ 200.01084 139.2
[M-H]- 160.04040 131.0
[M+Na-2H]- 182.02235 136.3
[M]+ 161.04713 132.2
[M]- 161.04823 132.2
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