CID 13780782

1,3-dicyclopropylpropane-1,3-dione

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC1C(=O)CC(=O)C2CC2
InChI
InChI=1S/C9H12O2/c10-8(6-1-2-6)5-9(11)7-3-4-7/h6-7H,1-5H2
InChIKey
QSEFTOYPSHMMDG-UHFFFAOYSA-N
Compound name
1,3-dicyclopropylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

152.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 141.6
[M+Na]+ 175.072938 148.4
[M-H]- 151.076444 148.7
[M+NH4]+ 170.117543 151.0
[M+K]+ 191.046878 147.1
[M+H-H2O]+ 135.080980 135.7
[M+HCOO]- 197.081921 161.0
[M+CH3COO]- 211.097571 190.4
[M+Na-2H]- 173.058386 143.8
[M]+ 152.08317142 145.2
[M]- 152.08426858 145.2
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