CID 15931710

5r-hydroxy-4r-decanolide

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCCCC[C@H]([C@H]1CCC(=O)O1)O
InChI
InChI=1S/C11H20O3/c1-2-3-4-5-6-9(12)10-7-8-11(13)14-10/h9-10,12H,2-8H2,1H3/t9-,10-/m1/s1
InChIKey
BCVDPRNPUNARHZ-NXEZZACHSA-N
Compound name
(5R)-5-[(1R)-1-hydroxyheptyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 148.4
[M+Na]+ 223.13047 153.2
[M-H]- 199.13397 150.3
[M+NH4]+ 218.17507 167.3
[M+K]+ 239.10441 152.7
[M+H-H2O]+ 183.13851 143.1
[M+HCOO]- 245.13945 167.4
[M+CH3COO]- 259.15510 182.7
[M+Na-2H]- 221.11592 149.9
[M]+ 200.14070 148.9
[M]- 200.14180 148.9
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.