CID 2773346

2-oxoindoline-5-carbonitrile

Structural Information

Molecular Formula
C9H6N2O
SMILES
C1C2=C(C=CC(=C2)C#N)NC1=O
InChI
InChI=1S/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
InChIKey
NZOSLRYUVHMXTQ-UHFFFAOYSA-N
Compound name
2-oxo-1,3-dihydroindole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

158.04802 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05530 135.0
[M+Na]+ 181.03724 146.7
[M+NH4]+ 176.08184 140.2
[M+K]+ 197.01118 138.9
[M-H]- 157.04074 128.8
[M+Na-2H]- 179.02269 137.5
[M]+ 158.04747 134.0
[M]- 158.04857 134.0
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

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