CID 76354

6-methyl-2,4-heptanedione

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)CC(=O)CC(=O)C
InChI
InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChIKey
IGMOYJSFRIASIE-UHFFFAOYSA-N
Compound name
6-methylheptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1842
Patents

142.09938 Da
Monoisotopic Mass

1.1
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

patents stripe