CID 20351107

2,3-dioxo-2,3-dihydro-1h-indole-6-carbonitrile

Structural Information

Molecular Formula
C9H4N2O2
SMILES
C1=CC2=C(C=C1C#N)NC(=O)C2=O
InChI
InChI=1S/C9H4N2O2/c10-4-5-1-2-6-7(3-5)11-9(13)8(6)12/h1-3H,(H,11,12,13)
InChIKey
MVYRNTZGIPPDBF-UHFFFAOYSA-N
Compound name
2,3-dioxo-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.02728 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.03456 135.7
[M+Na]+ 195.01650 148.3
[M-H]- 171.02000 137.7
[M+NH4]+ 190.06110 154.9
[M+K]+ 210.99044 142.8
[M+H-H2O]+ 155.02454 123.5
[M+HCOO]- 217.02548 153.9
[M+CH3COO]- 231.04113 188.8
[M+Na-2H]- 193.00195 140.5
[M]+ 172.02673 129.9
[M]- 172.02783 129.9
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