CID 105721

67828-37-9

Structural Information

Molecular Formula
C9H8O5
SMILES
COC(=O)C(=O)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H8O5/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,10-11H,1H3
InChIKey
DTTXYTFSERGEPB-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dihydroxyphenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03717 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 136.7
[M+Na]+ 219.02639 144.9
[M-H]- 195.02989 138.4
[M+NH4]+ 214.07099 154.8
[M+K]+ 235.00033 143.8
[M+H-H2O]+ 179.03443 131.4
[M+HCOO]- 241.03537 157.8
[M+CH3COO]- 255.05102 178.3
[M+Na-2H]- 217.01184 140.2
[M]+ 196.03662 138.1
[M]- 196.03772 138.1
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

No patent data available for this compound.