CID 40450

6,6-dimethyl-3,4-undecadiene-2,10-dione

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(=O)CCCC(C)(C)C=C=CC(=O)C
InChI
InChI=1S/C13H20O2/c1-11(14)7-5-9-13(3,4)10-6-8-12(2)15/h8,10H,5,7,9H2,1-4H3
InChIKey
ZJUAUNQHNSLJQO-UHFFFAOYSA-N
Compound name
6,6-dimethylundeca-3,4-diene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 150.1
[M+Na]+ 231.13555 155.9
[M-H]- 207.13905 149.9
[M+NH4]+ 226.18015 169.3
[M+K]+ 247.10949 153.7
[M+H-H2O]+ 191.14359 145.6
[M+HCOO]- 253.14453 169.5
[M+CH3COO]- 267.16018 189.2
[M+Na-2H]- 229.12100 152.1
[M]+ 208.14578 152.4
[M]- 208.14688 152.4
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

No patent data available for this compound.