CID 11815384

1h-inden-1-one

Structural Information

Molecular Formula
C9H6O
SMILES
C1=CC=C2C(=C1)C=CC2=O
InChI
InChI=1S/C9H6O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey
SNWQUNCRDLUDEX-UHFFFAOYSA-N
Compound name
inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

5526
Patents

130.04187 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.04915 121.6
[M+Na]+ 153.03109 131.8
[M-H]- 129.03459 126.9
[M+NH4]+ 148.07569 146.8
[M+K]+ 169.00503 129.2
[M+H-H2O]+ 113.03913 116.9
[M+HCOO]- 175.04007 147.4
[M+CH3COO]- 189.05572 171.0
[M+Na-2H]- 151.01654 130.0
[M]+ 130.04132 122.2
[M]- 130.04242 122.2
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

No patent data available for this compound.