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]+ 187.09648 139.4
[M+Na]+ 209.07842 146.3
[M-H]- 185.08192 142.1
[M+NH4]+ 204.12302 159.1
[M+K]+ 225.05236 146.1
[M+H-H2O]+ 169.08646 134.8
[M+HCOO]- 231.08740 159.5
[M+CH3COO]- 245.10305 179.1
[M+Na-2H]- 207.06387 141.5
[M]+ 186.08865 140.3
[M]- 186.08975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.