CID 81489

Undecane-2,5-dione

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC(=O)CCC(=O)C
InChI
InChI=1S/C11H20O2/c1-3-4-5-6-7-11(13)9-8-10(2)12/h3-9H2,1-2H3
InChIKey
ZHMCDZHVHDFSHO-UHFFFAOYSA-N
Compound name
undecane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

184.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.3
[M+Na]+ 207.13555 154.3
[M+NH4]+ 202.18015 151.9
[M+K]+ 223.10949 148.7
[M-H]- 183.13905 143.8
[M+Na-2H]- 205.12100 147.2
[M]+ 184.14578 145.8
[M]- 184.14688 145.8
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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