CID 12206033

4-methoxy-2-oxo-2h-pyran-6-carbaldehyde

Structural Information

Molecular Formula

C₇H₆O₄

SMILES

COC1=CC(=O)OC(=C1)C=O

InChI

InChI=1S/C7H6O4/c1-10-5-2-6(4-8)11-7(9)3-5/h2-4H,1H3

InChIKey

XYKRDIIZXDJMTJ-UHFFFAOYSA-N

Compound name

4-methoxy-6-oxopyran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.02661 Da
Monoisotopic Mass: 0.1
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]+	155.03389	125.3
[M+Na]+	177.01583	139.1
[M+NH4]+	172.06043	133.0
[M+K]+	192.98977	134.2
[M-H]-	153.01933	127.7
[M+Na-2H]-	175.00128	131.8
[M]+	154.02606	127.9
[M]-	154.02716	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe