CID 4191655

22186-58-9

Structural Information

Molecular Formula
C11H9NO
SMILES
C1C(C(=O)C2=CC=CC=C21)CC#N
InChI
InChI=1S/C11H9NO/c12-6-5-9-7-8-3-1-2-4-10(8)11(9)13/h1-4,9H,5,7H2
InChIKey
HVLNBQJMBUKRML-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-dihydroinden-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 138.1
[M+Na]+ 194.057638 149.9
[M-H]- 170.061144 142.3
[M+NH4]+ 189.102243 159.4
[M+K]+ 210.031578 144.2
[M+H-H2O]+ 154.065680 126.5
[M+HCOO]- 216.066621 158.1
[M+CH3COO]- 230.082271 192.1
[M+Na-2H]- 192.043086 143.2
[M]+ 171.06787142 133.3
[M]- 171.06896858 133.3
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