CID 44147424

Einecs 273-419-1

Structural Information

Molecular Formula
C9H12O4
SMILES
C/C(=C\CC(=O)O)/C=C/CC(=O)O
InChI
InChI=1S/C9H12O4/c1-7(5-6-9(12)13)3-2-4-8(10)11/h2-3,5H,4,6H2,1H3,(H,10,11)(H,12,13)/b3-2+,7-5+
InChIKey
HLEBJQZSCIXWBH-QGZVWANCSA-N
Compound name
(3E,5E)-4-methylocta-3,5-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 142.2
[M+Na]+ 207.06278 149.3
[M+NH4]+ 202.10738 146.6
[M+K]+ 223.03672 146.5
[M-H]- 183.06628 137.8
[M+Na-2H]- 205.04823 141.8
[M]+ 184.07301 141.3
[M]- 184.07411 141.3
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

patents stripe