CID 11992679

5-methoxy-4-oxo-4h-pyran-2-carboxylic acid

Structural Information

Molecular Formula
C7H6O5
SMILES
COC1=COC(=CC1=O)C(=O)O
InChI
InChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10)
InChIKey
JQYYVBCIIMRLDL-UHFFFAOYSA-N
Compound name
5-methoxy-4-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

170.02153 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.028806 126.9
[M+Na]+ 193.010748 136.8
[M-H]- 169.014254 131.0
[M+NH4]+ 188.055353 145.6
[M+K]+ 208.984688 137.4
[M+H-H2O]+ 153.018790 121.7
[M+HCOO]- 215.019731 150.3
[M+CH3COO]- 229.035381 174.6
[M+Na-2H]- 190.996196 134.3
[M]+ 170.02098142 130.9
[M]- 170.02207858 130.9
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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