CID 131751119

5-nonyltetrahydro-2-oxo-3-furancarboxylic acid

Structural Information

Molecular Formula
C14H24O4
SMILES
CCCCCCCCCC1CC(C(=O)O1)C(=O)O
InChI
InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-9-11-10-12(13(15)16)14(17)18-11/h11-12H,2-10H2,1H3,(H,15,16)
InChIKey
DKQLZKCYTLXNBN-UHFFFAOYSA-N
Compound name
5-nonyl-2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.16745 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 162.5
[M+Na]+ 279.15667 169.9
[M+NH4]+ 274.20127 167.9
[M+K]+ 295.13061 167.1
[M-H]- 255.16017 162.4
[M+Na-2H]- 277.14212 162.2
[M]+ 256.16690 163.1
[M]- 256.16800 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.