CID 1712324

38209-58-4

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=C(C=C(C=C1)C(=O)C(=O)OC)OC
InChI
InChI=1S/C11H12O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6H,1-3H3
InChIKey
RRANFHUAXGKYBS-UHFFFAOYSA-N
Compound name
methyl 2-(3,4-dimethoxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

224.06847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 144.3
[M+Na]+ 247.05769 152.6
[M-H]- 223.06119 148.5
[M+NH4]+ 242.10229 162.8
[M+K]+ 263.03163 152.9
[M+H-H2O]+ 207.06573 138.3
[M+HCOO]- 269.06667 167.8
[M+CH3COO]- 283.08232 189.2
[M+Na-2H]- 245.04314 147.9
[M]+ 224.06792 150.3
[M]- 224.06902 150.3
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