CID 10013857

Methyl 2-oxo-4-[(2z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2h-pyran-5-carboxylate

Structural Information

Molecular Formula
C11H12O5
SMILES
C/C=C(\C=O)/C1CC(=O)OC=C1C(=O)OC
InChI
InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3+
InChIKey
TXTINTVPMBCGKO-XVNBXDOJSA-N
Compound name
methyl 2-oxo-4-[(Z)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.06847 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 147.4
[M+Na]+ 247.05769 157.4
[M+NH4]+ 242.10229 152.9
[M+K]+ 263.03163 153.9
[M-H]- 223.06119 147.8
[M+Na-2H]- 245.04314 149.5
[M]+ 224.06792 148.5
[M]- 224.06902 148.5
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.