CID 6383348

Mono-methyl 2-methylmuconate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 137.4
[M+Na]+ 193.04712 145.3
[M+NH4]+ 188.09172 142.3
[M+K]+ 209.02106 142.4
[M-H]- 169.05062 133.6
[M+Na-2H]- 191.03257 137.9
[M]+ 170.05735 136.8
[M]- 170.05845 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