CID 81340155

5-cyclopropylcyclohexane-1,3-dione

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC1C2CC(=O)CC(=O)C2
InChI
InChI=1S/C9H12O2/c10-8-3-7(6-1-2-6)4-9(11)5-8/h6-7H,1-5H2
InChIKey
HODUOLKLCSAVBB-UHFFFAOYSA-N
Compound name
5-cyclopropylcyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.3
[M+Na]+ 175.07294 140.0
[M-H]- 151.07644 138.8
[M+NH4]+ 170.11754 147.7
[M+K]+ 191.04688 137.7
[M+H-H2O]+ 135.08098 125.4
[M+HCOO]- 197.08192 152.7
[M+CH3COO]- 211.09757 179.1
[M+Na-2H]- 173.05839 135.8
[M]+ 152.08317 130.5
[M]- 152.08427 130.5
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.