CID 11298375

(4r,5r)-5-hexyl-4-hydroxyoxolan-2-one

Structural Information

Molecular Formula
C10H18O3
SMILES
CCCCCC[C@@H]1[C@@H](CC(=O)O1)O
InChI
InChI=1S/C10H18O3/c1-2-3-4-5-6-9-8(11)7-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
InChIKey
HFYZTGBQDXZSHJ-RKDXNWHRSA-N
Compound name
(4R,5R)-5-hexyl-4-hydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 142.4
[M+Na]+ 209.11482 148.8
[M-H]- 185.11832 144.8
[M+NH4]+ 204.15942 162.2
[M+K]+ 225.08876 148.1
[M+H-H2O]+ 169.12286 137.5
[M+HCOO]- 231.12380 162.7
[M+CH3COO]- 245.13945 180.0
[M+Na-2H]- 207.10027 145.1
[M]+ 186.12505 143.5
[M]- 186.12615 143.5
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.