CID 59751037

612487-62-4

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1C2=C(C=CC(=C2)C=O)NC1=O
InChI
InChI=1S/C9H7NO2/c11-5-6-1-2-8-7(3-6)4-9(12)10-8/h1-3,5H,4H2,(H,10,12)
InChIKey
JPTJDKSTSDEZNR-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydroindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

161.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 130.3
[M+Na]+ 184.036898 140.0
[M-H]- 160.040404 132.6
[M+NH4]+ 179.081503 152.1
[M+K]+ 200.010838 136.5
[M+H-H2O]+ 144.044940 124.8
[M+HCOO]- 206.045881 152.1
[M+CH3COO]- 220.061531 173.6
[M+Na-2H]- 182.022346 136.4
[M]+ 161.04713142 129.2
[M]- 161.04822858 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe