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]+ 255.19548 155.7
[M+Na]+ 277.17742 162.7
[M+NH4]+ 272.22202 167.4
[M+K]+ 293.15136 155.6
[M-H]- 253.18092 158.7
[M+Na-2H]- 275.16287 155.3
[M]+ 254.18765 157.8
[M]- 254.18875 157.8
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.