CID 46937166

4-(2-methoxyphenyl)-2-oxobut-3-enoic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC=CC=C1/C=C/C(=O)C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-10-5-3-2-4-8(10)6-7-9(12)11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey
QGTBUESLYPYXRT-VOTSOKGWSA-N
Compound name
(E)-4-(2-methoxyphenyl)-2-oxobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 142.0
[M+Na]+ 229.04712 149.3
[M-H]- 205.05062 144.4
[M+NH4]+ 224.09172 160.1
[M+K]+ 245.02106 147.3
[M+H-H2O]+ 189.05516 136.2
[M+HCOO]- 251.05610 163.9
[M+CH3COO]- 265.07175 182.5
[M+Na-2H]- 227.03257 145.6
[M]+ 206.05735 143.5
[M]- 206.05845 143.5
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