CID 21949865

1-cyclopropylpentane-1,3-dione

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC(=O)CC(=O)C1CC1
InChI
InChI=1S/C8H12O2/c1-2-7(9)5-8(10)6-3-4-6/h6H,2-5H2,1H3
InChIKey
OWEWZFCREOKWIV-UHFFFAOYSA-N
Compound name
1-cyclopropylpentane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

140.08372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.7
[M+Na]+ 163.07294 141.9
[M+NH4]+ 158.11754 138.9
[M+K]+ 179.04688 138.7
[M-H]- 139.07644 137.6
[M+Na-2H]- 161.05839 137.3
[M]+ 140.08317 135.1
[M]- 140.08427 135.1
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