CID 6437347

Einecs 225-756-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

164.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 139.2
[M+Na]+ 187.07294 148.6
[M+NH4]+ 182.11754 145.2
[M+K]+ 203.04688 142.9
[M-H]- 163.07644 137.0
[M+Na-2H]- 185.05839 141.0
[M]+ 164.08317 139.4
[M]- 164.08427 139.4
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