CID 89159

Methyl 3-(4-methoxyphenyl)-2-oxopropanoate

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=CC=C(C=C1)CC(=O)C(=O)OC
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6H,7H2,1-2H3
InChIKey
YFKAHHRRSJDIOX-UHFFFAOYSA-N
Compound name
methyl 3-(4-methoxyphenyl)-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

208.07356 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 142.7
[M+Na]+ 231.062778 150.1
[M-H]- 207.066284 146.5
[M+NH4]+ 226.107383 161.5
[M+K]+ 247.036718 149.7
[M+H-H2O]+ 191.070820 136.6
[M+HCOO]- 253.071761 166.0
[M+CH3COO]- 267.087411 185.9
[M+Na-2H]- 229.048226 146.8
[M]+ 208.07301142 146.8
[M]- 208.07410858 146.8
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