CID 16129452

2,6-dimethylocta-2,4,6-trienedial

Structural Information

Molecular Formula
C10H12O2
SMILES
C/C(=C\C=O)/C=C/C=C(\C)/C=O
InChI
InChI=1S/C10H12O2/c1-9(6-7-11)4-3-5-10(2)8-12/h3-8H,1-2H3/b4-3+,9-6+,10-5+
InChIKey
PPJGVKZRXCHMCC-LNFQZQFXSA-N
Compound name
(2E,4E,6E)-2,6-dimethylocta-2,4,6-trienedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

164.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 135.9
[M+Na]+ 187.072938 142.8
[M-H]- 163.076444 136.0
[M+NH4]+ 182.117543 156.6
[M+K]+ 203.046878 140.4
[M+H-H2O]+ 147.080980 131.4
[M+HCOO]- 209.081921 158.0
[M+CH3COO]- 223.097571 178.3
[M+Na-2H]- 185.058386 138.7
[M]+ 164.08317142 136.6
[M]- 164.08426858 136.6
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