CID 144686

Bicyclo[3.2.1]octane-2,4-dione

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC2CC1C(=O)CC2=O
InChI
InChI=1S/C8H10O2/c9-7-4-8(10)6-2-1-5(7)3-6/h5-6H,1-4H2
InChIKey
VCYHIHMHWASQAB-UHFFFAOYSA-N
Compound name
bicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

138.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 125.8
[M+Na]+ 161.057298 133.6
[M-H]- 137.060804 128.7
[M+NH4]+ 156.101903 151.1
[M+K]+ 177.031238 131.8
[M+H-H2O]+ 121.065340 121.8
[M+HCOO]- 183.066281 146.1
[M+CH3COO]- 197.081931 173.0
[M+Na-2H]- 159.042746 131.0
[M]+ 138.06753142 123.3
[M]- 138.06862858 123.3
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

patents stripe