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]+ 215.12779 148.0
[M+Na]+ 237.10973 153.1
[M-H]- 213.11323 150.1
[M+NH4]+ 232.15433 164.6
[M+K]+ 253.08367 152.7
[M+H-H2O]+ 197.11777 142.3
[M+HCOO]- 259.11871 165.4
[M+CH3COO]- 273.13436 185.6
[M+Na-2H]- 235.09518 150.2
[M]+ 214.11996 147.6
[M]- 214.12106 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.