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

172
Patents

152.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 141.6
[M+Na]+ 175.07294 148.4
[M-H]- 151.07644 148.7
[M+NH4]+ 170.11754 151.0
[M+K]+ 191.04688 147.1
[M+H-H2O]+ 135.08098 135.7
[M+HCOO]- 197.08192 161.0
[M+CH3COO]- 211.09757 190.4
[M+Na-2H]- 173.05839 143.8
[M]+ 152.08317 145.2
[M]- 152.08427 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