CID 175758

1-cycloheptyl-4-isopropylbicycloorthocarboxylate

Structural Information

Molecular Formula
C15H26O3
SMILES
CC(C)C12COC(OC1)(OC2)C3CCCCCC3
InChI
InChI=1S/C15H26O3/c1-12(2)14-9-16-15(17-10-14,18-11-14)13-7-5-3-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKey
AHNVODNCOKVXDF-UHFFFAOYSA-N
Compound name
1-cycloheptyl-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

254.1882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.195476 154.6
[M+Na]+ 277.177418 156.2
[M-H]- 253.180924 156.8
[M+NH4]+ 272.222023 174.1
[M+K]+ 293.151358 157.7
[M+H-H2O]+ 237.185460 149.8
[M+HCOO]- 299.186401 159.2
[M+CH3COO]- 313.202051 163.4
[M+Na-2H]- 275.162866 164.8
[M]+ 254.18765142 151.8
[M]- 254.18874858 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.