CID 13816142

4-(2-methoxy-2-oxoethoxy)benzoic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC(=O)COC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H10O5/c1-14-9(11)6-15-8-4-2-7(3-5-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
SPBVJVFCFLINPJ-UHFFFAOYSA-N
Compound name
4-(2-methoxy-2-oxoethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

210.05283 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.060106 141.5
[M+Na]+ 233.042048 148.8
[M-H]- 209.045554 144.0
[M+NH4]+ 228.086653 159.4
[M+K]+ 249.015988 148.3
[M+H-H2O]+ 193.050090 135.5
[M+HCOO]- 255.051031 163.8
[M+CH3COO]- 269.066681 182.5
[M+Na-2H]- 231.027496 145.6
[M]+ 210.05228142 144.8
[M]- 210.05337858 144.8
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