CID 131751118

5-butyltetrahydro-2-oxo-3-furancarboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
CCCCC1CC(C(=O)O1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-2-3-4-6-5-7(8(10)11)9(12)13-6/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
XCIYLBHMPNYNTF-UHFFFAOYSA-N
Compound name
5-butyl-2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.4
[M+Na]+ 209.078418 146.3
[M-H]- 185.081924 142.1
[M+NH4]+ 204.123023 159.1
[M+K]+ 225.052358 146.1
[M+H-H2O]+ 169.086460 134.8
[M+HCOO]- 231.087401 159.5
[M+CH3COO]- 245.103051 179.1
[M+Na-2H]- 207.063866 141.5
[M]+ 186.08865142 140.3
[M]- 186.08974858 140.3
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.