CID 44216787

Tridecane-3,4-dione

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCCCCC(=O)C(=O)CC
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h3-11H2,1-2H3
InChIKey
DPYKXOIMVHNHBJ-UHFFFAOYSA-N
Compound name
tridecane-3,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

212.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 154.0
[M+Na]+ 235.16685 162.7
[M+NH4]+ 230.21145 160.4
[M+K]+ 251.14079 156.5
[M-H]- 211.17035 152.5
[M+Na-2H]- 233.15230 155.5
[M]+ 212.17708 154.5
[M]- 212.17818 154.5
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