CID 21362924

195065-80-6

Structural Information

Molecular Formula
C17H26O4
SMILES
CC12CCC(CC1O2)C(C)(C)OC(=O)C3CCC4C(C3)O4
InChI
InChI=1S/C17H26O4/c1-16(2,11-6-7-17(3)14(9-11)20-17)21-15(18)10-4-5-12-13(8-10)19-12/h10-14H,4-9H2,1-3H3
InChIKey
BHSXLEBEFBJDRN-UHFFFAOYSA-N
Compound name
2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.1831 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19038 150.5
[M+Na]+ 317.17232 162.2
[M+NH4]+ 312.21692 160.2
[M+K]+ 333.14626 160.2
[M-H]- 293.17582 167.2
[M+Na-2H]- 315.15777 159.1
[M]+ 294.18255 159.1
[M]- 294.18365 159.1
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

patents stripe