CID 162952745

3,4-bis[(4-hydroxy-3-methoxycyclohexyl)methyl]oxolan-2-one

Structural Information

Molecular Formula
C20H34O6
SMILES
COC1CC(CCC1O)CC2COC(=O)C2CC3CCC(C(C3)OC)O
InChI
InChI=1S/C20H34O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h12-19,21-22H,3-11H2,1-2H3
InChIKey
ARQURIMKGVUGBH-UHFFFAOYSA-N
Compound name
3,4-bis[(4-hydroxy-3-methoxycyclohexyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.23553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.24281 190.1
[M+Na]+ 393.22475 196.8
[M+NH4]+ 388.26935 195.5
[M+K]+ 409.19869 194.6
[M-H]- 369.22825 193.6
[M+Na-2H]- 391.21020 189.6
[M]+ 370.23498 191.5
[M]- 370.23608 191.5
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.