CID 2773348

2-oxindole-6-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
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 133.5
[M+Na]+ 181.03724 145.2
[M-H]- 157.04074 135.1
[M+NH4]+ 176.08184 153.1
[M+K]+ 197.01118 139.6
[M+H-H2O]+ 141.04528 121.2
[M+HCOO]- 203.04622 151.4
[M+CH3COO]- 217.06187 145.7
[M+Na-2H]- 179.02269 138.9
[M]+ 158.04747 126.7
[M]- 158.04857 126.7
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