CID 548815

70050-88-3

Structural Information

Molecular Formula
C12H12O2
SMILES
CC1=CC(=O)C2C3CC(C2C1=O)C=C3
InChI
InChI=1S/C12H12O2/c1-6-4-9(13)10-7-2-3-8(5-7)11(10)12(6)14/h2-4,7-8,10-11H,5H2,1H3
InChIKey
VVJNELUVYOGFDK-UHFFFAOYSA-N
Compound name
4-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 139.6
[M+Na]+ 211.07294 149.8
[M-H]- 187.07644 144.3
[M+NH4]+ 206.11754 166.2
[M+K]+ 227.04688 146.1
[M+H-H2O]+ 171.08098 136.2
[M+HCOO]- 233.08192 160.6
[M+CH3COO]- 247.09757 185.0
[M+Na-2H]- 209.05839 142.6
[M]+ 188.08317 140.3
[M]- 188.08427 140.3
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

No patent data available for this compound.