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]+ 174.05496 134.0
[M+Na]+ 196.03690 143.7
[M-H]- 172.04040 136.2
[M+NH4]+ 191.08150 155.4
[M+K]+ 212.01084 139.4
[M+H-H2O]+ 156.04494 128.4
[M+HCOO]- 218.04588 155.7
[M+CH3COO]- 232.06153 175.2
[M+Na-2H]- 194.02235 139.6
[M]+ 173.04713 132.5
[M]- 173.04823 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.