CID 313655

2-oxo-2,3-dihydro-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)C=O
InChI
InChI=1S/C9H7NO2/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,7H,(H,10,12)
InChIKey
NEWVVIDKMOJCCS-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydroindole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

161.04768 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe