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
3
Annotation Hits

248
References

21354
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 124.5
[M+Na]+ 155.04673 137.5
[M+NH4]+ 150.09133 135.0
[M+K]+ 171.02067 132.0
[M-H]- 131.05023 127.4
[M+Na-2H]- 153.03218 131.3
[M]+ 132.05696 127.1
[M]- 132.05806 127.1
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