CID 6735

1-indanone

Structural Information

Molecular Formula
C9H8O
SMILES
C1CC(=O)C2=CC=CC=C21
InChI
InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey
QNXSIUBBGPHDDE-UHFFFAOYSA-N
Compound name
2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

247
References

22035
Patents

132.05751 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 123.4
[M+Na]+ 155.04673 132.5
[M-H]- 131.05023 128.3
[M+NH4]+ 150.09133 148.4
[M+K]+ 171.02067 130.1
[M+H-H2O]+ 115.05477 118.7
[M+HCOO]- 177.05571 147.8
[M+CH3COO]- 191.07136 171.4
[M+Na-2H]- 153.03218 130.8
[M]+ 132.05696 122.6
[M]- 132.05806 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe