CID 3084696

Methyl 2-(4-hydroxyphenyl)-2-oxoacetate

Structural Information

Molecular Formula
C9H8O4
SMILES
COC(=O)C(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H8O4/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,10H,1H3
InChIKey
ACOFACMTVIGUGM-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

180.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 135.6
[M+Na]+ 203.03147 146.9
[M+NH4]+ 198.07607 142.4
[M+K]+ 219.00541 142.9
[M-H]- 179.03497 135.6
[M+Na-2H]- 201.01692 140.8
[M]+ 180.04170 136.9
[M]- 180.04280 136.9
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

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