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
3
Annotation Hits

0
References

236
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 163.0
[M+Na]+ 277.177418 168.7
[M-H]- 253.180924 167.6
[M+NH4]+ 272.222023 175.1
[M+K]+ 293.151358 167.3
[M+H-H2O]+ 237.185460 156.1
[M+HCOO]- 299.186401 179.1
[M+CH3COO]- 313.202051 200.4
[M+Na-2H]- 275.162866 165.1
[M]+ 254.18765142 167.9
[M]- 254.18874858 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