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

103
Patents

152.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 125.9
[M+Na]+ 175.072938 131.8
[M-H]- 151.076444 131.5
[M+NH4]+ 170.117543 142.8
[M+K]+ 191.046878 133.3
[M+H-H2O]+ 135.080980 116.8
[M+HCOO]- 197.081921 145.4
[M+CH3COO]- 211.097571 177.5
[M+Na-2H]- 173.058386 132.2
[M]+ 152.08317142 130.4
[M]- 152.08426858 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