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

4
Patents

154.02661 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.033886 122.9
[M+Na]+ 177.015828 133.6
[M-H]- 153.019334 128.4
[M+NH4]+ 172.060433 143.2
[M+K]+ 192.989768 134.2
[M+H-H2O]+ 137.023870 117.7
[M+HCOO]- 199.024811 148.7
[M+CH3COO]- 213.040461 174.0
[M+Na-2H]- 175.001276 132.1
[M]+ 154.02606142 128.0
[M]- 154.02715858 128.0
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

patents stripe