CID 131751112

Alpha-carboxy-delta-decalactone

Structural Information

Molecular Formula
C11H18O4
SMILES
CCCCCC1CCC(C(=O)O1)C(=O)O
InChI
InChI=1S/C11H18O4/c1-2-3-4-5-8-6-7-9(10(12)13)11(14)15-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKey
UYZBRJHRPDMUHS-UHFFFAOYSA-N
Compound name
2-oxo-6-pentyloxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 148.0
[M+Na]+ 237.109728 153.1
[M-H]- 213.113234 150.1
[M+NH4]+ 232.154333 164.6
[M+K]+ 253.083668 152.7
[M+H-H2O]+ 197.117770 142.3
[M+HCOO]- 259.118711 165.4
[M+CH3COO]- 273.134361 185.6
[M+Na-2H]- 235.095176 150.2
[M]+ 214.11996142 147.6
[M]- 214.12105858 147.6
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.