CID 112475

62256-00-2

Structural Information

Molecular Formula
C15H26O3
SMILES
CCCCC(CC)COC(=O)C1CCC2C(C1)O2
InChI
InChI=1S/C15H26O3/c1-3-5-6-11(4-2)10-17-15(16)12-7-8-13-14(9-12)18-13/h11-14H,3-10H2,1-2H3
InChIKey
ABAMRJVWDHJBTI-UHFFFAOYSA-N
Compound name
2-ethylhexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

285
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 163.0
[M+Na]+ 277.17742 168.7
[M-H]- 253.18092 167.6
[M+NH4]+ 272.22202 175.1
[M+K]+ 293.15136 167.3
[M+H-H2O]+ 237.18546 156.1
[M+HCOO]- 299.18640 179.1
[M+CH3COO]- 313.20205 200.4
[M+Na-2H]- 275.16287 165.1
[M]+ 254.18765 167.9
[M]- 254.18875 167.9
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