CID 96630718

2-(2-oxo-2,3-dihydro-1h-indol-3-ylidene)acetaldehyde

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C(=C1)/C(=C\C=O)/C(=O)N2
InChI
InChI=1S/C10H7NO2/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)13/h1-6H,(H,11,13)/b8-5+
InChIKey
SZPUXQUHQPTPDC-VMPITWQZSA-N
Compound name
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.04768 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.054956 134.0
[M+Na]+ 196.036898 143.7
[M-H]- 172.040404 136.2
[M+NH4]+ 191.081503 155.4
[M+K]+ 212.010838 139.4
[M+H-H2O]+ 156.044940 128.4
[M+HCOO]- 218.045881 155.7
[M+CH3COO]- 232.061531 175.2
[M+Na-2H]- 194.022346 139.6
[M]+ 173.04713142 132.5
[M]- 173.04822858 132.5
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

No patent data available for this compound.