CID 3024079

2-methyldodecane-4,6-dione

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCC(=O)CC(=O)CC(C)C
InChI
InChI=1S/C13H24O2/c1-4-5-6-7-8-12(14)10-13(15)9-11(2)3/h11H,4-10H2,1-3H3
InChIKey
PHVJAYGOLQGSCN-UHFFFAOYSA-N
Compound name
2-methyldodecane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 154.8
[M+Na]+ 235.166848 159.2
[M-H]- 211.170354 154.2
[M+NH4]+ 230.211453 173.6
[M+K]+ 251.140788 158.2
[M+H-H2O]+ 195.174890 149.4
[M+HCOO]- 257.175831 174.3
[M+CH3COO]- 271.191481 193.0
[M+Na-2H]- 233.152296 154.5
[M]+ 212.17708142 158.4
[M]- 212.17817858 158.4
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