CID 169441103

(4s,5r)-4-hydroxy-5-octyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C12H22O3
SMILES
CCCCCCCC[C@@H]1[C@H](CC(=O)O1)O
InChI
InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11-10(13)9-12(14)15-11/h10-11,13H,2-9H2,1H3/t10-,11+/m0/s1
InChIKey
QVALYWZFFZELKP-WDEREUQCSA-N
Compound name
(4S,5R)-4-hydroxy-5-octyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 151.7
[M+Na]+ 237.14611 157.3
[M-H]- 213.14961 153.7
[M+NH4]+ 232.19071 170.4
[M+K]+ 253.12005 156.1
[M+H-H2O]+ 197.15415 146.5
[M+HCOO]- 259.15509 171.4
[M+CH3COO]- 273.17074 186.0
[M+Na-2H]- 235.13156 153.3
[M]+ 214.15634 153.6
[M]- 214.15744 153.6
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.