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]+ 172.07570 138.1
[M+Na]+ 194.05764 149.9
[M-H]- 170.06114 142.3
[M+NH4]+ 189.10224 159.4
[M+K]+ 210.03158 144.2
[M+H-H2O]+ 154.06568 126.5
[M+HCOO]- 216.06662 158.1
[M+CH3COO]- 230.08227 192.1
[M+Na-2H]- 192.04309 143.2
[M]+ 171.06787 133.3
[M]- 171.06897 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