CID 131751117

5-(3e-pentenyl)tetrahydro-2-oxo-3-furancarboxylic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
C/C=C/CCC1CC(C(=O)O1)C(=O)O
InChI
InChI=1S/C10H14O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h2-3,7-8H,4-6H2,1H3,(H,11,12)/b3-2+
InChIKey
KHWZQNGOXILAEN-NSCUHMNNSA-N
Compound name
2-oxo-5-[(E)-pent-3-enyl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 144.4
[M+Na]+ 221.07842 152.7
[M+NH4]+ 216.12302 150.3
[M+K]+ 237.05236 150.7
[M-H]- 197.08192 144.2
[M+Na-2H]- 219.06387 145.0
[M]+ 198.08865 145.0
[M]- 198.08975 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.