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 154.6
[M+Na]+ 277.17742 156.2
[M-H]- 253.18092 156.8
[M+NH4]+ 272.22202 174.1
[M+K]+ 293.15136 157.7
[M+H-H2O]+ 237.18546 149.8
[M+HCOO]- 299.18640 159.2
[M+CH3COO]- 313.20205 163.4
[M+Na-2H]- 275.16287 164.8
[M]+ 254.18765 151.8
[M]- 254.18875 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.