CID 117165

3,5,7,10-tetramethylundec-9-ene-4,6-dione

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(C)C(=O)C(C)C(=O)C(C)CC=C(C)C
InChI
InChI=1S/C15H26O2/c1-7-11(4)14(16)13(6)15(17)12(5)9-8-10(2)3/h8,11-13H,7,9H2,1-6H3
InChIKey
BZBFBQMTXDLSPW-UHFFFAOYSA-N
Compound name
3,5,7,10-tetramethylundec-9-ene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 161.0
[M+Na]+ 261.182498 164.3
[M-H]- 237.186004 160.3
[M+NH4]+ 256.227103 178.5
[M+K]+ 277.156438 163.7
[M+H-H2O]+ 221.190540 155.8
[M+HCOO]- 283.191481 177.1
[M+CH3COO]- 297.207131 200.1
[M+Na-2H]- 259.167946 156.1
[M]+ 238.19273142 162.6
[M]- 238.19382858 162.6
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.