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: 36
Patents: 170.02153 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.02881	129.2
[M+Na]+	193.01075	141.6
[M+NH4]+	188.05535	135.8
[M+K]+	208.98469	138.3
[M-H]-	169.01425	130.3
[M+Na-2H]-	190.99620	134.2
[M]+	170.02098	131.1
[M]-	170.02208	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe