CID 4191655

2-(1-oxo-2,3-dihydro-1h-inden-2-yl)acetonitrile

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]+ 172.07570 138.3
[M+Na]+ 194.05764 150.4
[M+NH4]+ 189.10224 144.3
[M+K]+ 210.03158 141.7
[M-H]- 170.06114 133.3
[M+Na-2H]- 192.04309 141.4
[M]+ 171.06787 137.8
[M]- 171.06897 137.8
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