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]+ 199.096476 142.9
[M+Na]+ 221.078418 149.7
[M-H]- 197.081924 145.5
[M+NH4]+ 216.123023 162.1
[M+K]+ 237.052358 148.8
[M+H-H2O]+ 181.086460 138.2
[M+HCOO]- 243.087401 162.9
[M+CH3COO]- 257.103051 180.6
[M+Na-2H]- 219.063866 144.5
[M]+ 198.08865142 143.4
[M]- 198.08974858 143.4
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.