CID 11030074

2,3-dihydro-3-oxo-1h-indene-5-carbonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1CC(=O)C2=C1C=CC(=C2)C#N
InChI
InChI=1S/C10H7NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5H,3-4H2
InChIKey
UJBIKXKXAWDYIB-UHFFFAOYSA-N
Compound name
3-oxo-1,2-dihydroindene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

157.05276 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 134.0
[M+Na]+ 180.04198 146.2
[M-H]- 156.04548 138.4
[M+NH4]+ 175.08658 155.8
[M+K]+ 196.01592 140.7
[M+H-H2O]+ 140.05002 122.5
[M+HCOO]- 202.05096 154.3
[M+CH3COO]- 216.06661 189.4
[M+Na-2H]- 178.02743 139.6
[M]+ 157.05221 128.9
[M]- 157.05331 128.9
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