CID 92194

3388-03-2

Structural Information

Molecular Formula
C15H22O4
SMILES
C1CC2C(O2)CC1C3OCC4(CCC5C(C4)O5)CO3
InChI
InChI=1S/C15H22O4/c1-2-10-12(18-10)5-9(1)14-16-7-15(8-17-14)4-3-11-13(6-15)19-11/h9-14H,1-8H2
InChIKey
QHOMCUUGNPEUCT-UHFFFAOYSA-N
Compound name
2-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

918
Patents

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 167.5
[M+Na]+ 289.14102 172.9
[M-H]- 265.14452 178.2
[M+NH4]+ 284.18562 171.9
[M+K]+ 305.11496 178.1
[M+H-H2O]+ 249.14906 160.2
[M+HCOO]- 311.15000 173.3
[M+CH3COO]- 325.16565 175.6
[M+Na-2H]- 287.12647 172.2
[M]+ 266.15125 169.0
[M]- 266.15235 169.0
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