CID 3431101

2-(2-methoxyphenyl)-2-oxoacetic acid

Structural Information

Molecular Formula
C9H8O4
SMILES
COC1=CC=CC=C1C(=O)C(=O)O
InChI
InChI=1S/C9H8O4/c1-13-7-5-3-2-4-6(7)8(10)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
RGOJMRLSECAMJM-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

180.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 135.4
[M+Na]+ 203.03147 146.8
[M+NH4]+ 198.07607 142.2
[M+K]+ 219.00541 142.8
[M-H]- 179.03497 135.4
[M+Na-2H]- 201.01692 140.6
[M]+ 180.04170 136.7
[M]- 180.04280 136.7
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