CID 175756

1-cyclohexyl-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C14H24O3
SMILES
CC(C)C12COC(OC1)(OC2)C3CCCCC3
InChI
InChI=1S/C14H24O3/c1-11(2)13-8-15-14(16-9-13,17-10-13)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKey
XCIOJVMHHFNVEJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.17255 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 152.3
[M+Na]+ 263.16177 153.9
[M-H]- 239.16527 152.8
[M+NH4]+ 258.20637 173.2
[M+K]+ 279.13571 155.7
[M+H-H2O]+ 223.16981 145.2
[M+HCOO]- 285.17075 156.5
[M+CH3COO]- 299.18640 161.3
[M+Na-2H]- 261.14722 163.4
[M]+ 240.17200 151.8
[M]- 240.17310 151.8
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.