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 162.8
[M+Na]+ 279.15667 167.5
[M-H]- 255.16017 164.6
[M+NH4]+ 274.20127 179.6
[M+K]+ 295.13061 166.1
[M+H-H2O]+ 239.16471 157.2
[M+HCOO]- 301.16565 181.2
[M+CH3COO]- 315.18130 194.2
[M+Na-2H]- 277.14212 162.2
[M]+ 256.16690 165.6
[M]- 256.16800 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.