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

5544
Patents

130.04187 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.049146 121.6
[M+Na]+ 153.031088 131.8
[M-H]- 129.034594 126.9
[M+NH4]+ 148.075693 146.8
[M+K]+ 169.005028 129.2
[M+H-H2O]+ 113.039130 116.9
[M+HCOO]- 175.040071 147.4
[M+CH3COO]- 189.055721 171.0
[M+Na-2H]- 151.016536 130.0
[M]+ 130.04132142 122.2
[M]- 130.04241858 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

literature stripe

Patent stripe

patents stripe