CID 12086855

Spiro[3.5]nonane-6,8-dione

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC2(C1)CC(=O)CC(=O)C2
InChI
InChI=1S/C9H12O2/c10-7-4-8(11)6-9(5-7)2-1-3-9/h1-6H2
InChIKey
UIGXEVGBZZHZJY-UHFFFAOYSA-N
Compound name
spiro[3.5]nonane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

152.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 125.9
[M+Na]+ 175.07294 131.8
[M-H]- 151.07644 131.5
[M+NH4]+ 170.11754 142.8
[M+K]+ 191.04688 133.3
[M+H-H2O]+ 135.08098 116.8
[M+HCOO]- 197.08192 145.4
[M+CH3COO]- 211.09757 177.5
[M+Na-2H]- 173.05839 132.2
[M]+ 152.08317 130.4
[M]- 152.08427 130.4
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