CID 73762

3-propylpentane-2,4-dione

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCC(C(=O)C)C(=O)C
InChI
InChI=1S/C8H14O2/c1-4-5-8(6(2)9)7(3)10/h8H,4-5H2,1-3H3
InChIKey
AQGSZYZZVTYOMQ-UHFFFAOYSA-N
Compound name
3-propylpentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

142.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.2
[M+Na]+ 165.08860 141.5
[M+NH4]+ 160.13320 139.2
[M+K]+ 181.06254 137.4
[M-H]- 141.09210 130.6
[M+Na-2H]- 163.07405 134.6
[M]+ 142.09883 132.8
[M]- 142.09993 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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