CID 540322

8,8,9-trimethyldeca-3,5-diene-2,7-dione

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C)C(C)(C)C(=O)C=CC=CC(=O)C
InChI
InChI=1S/C13H20O2/c1-10(2)13(4,5)12(15)9-7-6-8-11(3)14/h6-10H,1-5H3
InChIKey
ZKHZYORAVREEHU-UHFFFAOYSA-N
Compound name
8,8,9-trimethyldeca-3,5-diene-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 149.3
[M+Na]+ 231.135548 154.9
[M-H]- 207.139054 149.3
[M+NH4]+ 226.180153 168.4
[M+K]+ 247.109488 153.2
[M+H-H2O]+ 191.143590 145.0
[M+HCOO]- 253.144531 167.8
[M+CH3COO]- 267.160181 190.0
[M+Na-2H]- 229.120996 150.2
[M]+ 208.14578142 151.0
[M]- 208.14687858 151.0
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.