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

93
Patents

161.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 130.3
[M+Na]+ 184.03690 140.0
[M-H]- 160.04040 132.6
[M+NH4]+ 179.08150 152.1
[M+K]+ 200.01084 136.5
[M+H-H2O]+ 144.04494 124.8
[M+HCOO]- 206.04588 152.1
[M+CH3COO]- 220.06153 173.6
[M+Na-2H]- 182.02235 136.4
[M]+ 161.04713 129.2
[M]- 161.04823 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