CID 15576075

372186-81-7

Structural Information

Molecular Formula
C8H10O4
SMILES
CCOC(=O)/C=C/C=C/C(=O)O
InChI
InChI=1S/C8H10O4/c1-2-12-8(11)6-4-3-5-7(9)10/h3-6H,2H2,1H3,(H,9,10)/b5-3+,6-4+
InChIKey
YBLSYYBXEJACDQ-GGWOSOGESA-N
Compound name
(2E,4E)-6-ethoxy-6-oxohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 135.2
[M+Na]+ 193.047118 142.1
[M-H]- 169.050624 134.0
[M+NH4]+ 188.091723 154.9
[M+K]+ 209.021058 140.8
[M+H-H2O]+ 153.055160 130.6
[M+HCOO]- 215.056101 156.7
[M+CH3COO]- 229.071751 174.6
[M+Na-2H]- 191.032566 138.4
[M]+ 170.05735142 136.8
[M]- 170.05844858 136.8
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