CID 11983

2-indanone

Structural Information

Molecular Formula
C9H8O
SMILES
C1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKey
UMJJFEIKYGFCAT-UHFFFAOYSA-N
Compound name
1,3-dihydroinden-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

3760
Patents

132.05751 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 123.4
[M+Na]+ 155.046728 132.5
[M-H]- 131.050234 128.3
[M+NH4]+ 150.091333 148.4
[M+K]+ 171.020668 130.1
[M+H-H2O]+ 115.054770 118.7
[M+HCOO]- 177.055711 147.8
[M+CH3COO]- 191.071361 171.4
[M+Na-2H]- 153.032176 130.8
[M]+ 132.05696142 122.6
[M]- 132.05805858 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