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

392
Patents

138.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 125.8
[M+Na]+ 161.05730 133.6
[M-H]- 137.06080 128.7
[M+NH4]+ 156.10190 151.1
[M+K]+ 177.03124 131.8
[M+H-H2O]+ 121.06534 121.8
[M+HCOO]- 183.06628 146.1
[M+CH3COO]- 197.08193 173.0
[M+Na-2H]- 159.04275 131.0
[M]+ 138.06753 123.3
[M]- 138.06863 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