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]+ 201.148526 148.4
[M+Na]+ 223.130468 153.2
[M-H]- 199.133974 150.3
[M+NH4]+ 218.175073 167.3
[M+K]+ 239.104408 152.7
[M+H-H2O]+ 183.138510 143.1
[M+HCOO]- 245.139451 167.4
[M+CH3COO]- 259.155101 182.7
[M+Na-2H]- 221.115916 149.9
[M]+ 200.14070142 148.9
[M]- 200.14179858 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.