CID 175722

1,4-dicyclohexylbicycloorthocarboxylate

Structural Information

Molecular Formula
C17H28O3
SMILES
C1CCC(CC1)C23COC(OC2)(OC3)C4CCCCC4
InChI
InChI=1S/C17H28O3/c1-3-7-14(8-4-1)16-11-18-17(19-12-16,20-13-16)15-9-5-2-6-10-15/h14-15H,1-13H2
InChIKey
VGDJMFCELNFYAH-UHFFFAOYSA-N
Compound name
1,4-dicyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

280.20386 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.21114 157.8
[M+Na]+ 303.19308 156.8
[M-H]- 279.19658 160.0
[M+NH4]+ 298.23768 176.2
[M+K]+ 319.16702 157.5
[M+H-H2O]+ 263.20112 148.2
[M+HCOO]- 325.20206 159.2
[M+CH3COO]- 339.21771 165.1
[M+Na-2H]- 301.17853 167.2
[M]+ 280.20331 152.1
[M]- 280.20441 152.1
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