CID 3094320

Oxacyclohexadecane-2,13-dione

Structural Information

Molecular Formula
C15H26O3
SMILES
C1CCCCCC(=O)OCCCC(=O)CCCC1
InChI
InChI=1S/C15H26O3/c16-14-10-7-5-3-1-2-4-6-8-12-15(17)18-13-9-11-14/h1-13H2
InChIKey
QFRZEGADDLNLLM-UHFFFAOYSA-N
Compound name
oxacyclohexadecane-2,13-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

88
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 159.1
[M+Na]+ 277.177418 160.3
[M-H]- 253.180924 160.5
[M+NH4]+ 272.222023 171.0
[M+K]+ 293.151358 160.6
[M+H-H2O]+ 237.185460 156.3
[M+HCOO]- 299.186401 173.0
[M+CH3COO]- 313.202051 184.2
[M+Na-2H]- 275.162866 159.4
[M]+ 254.18765142 147.6
[M]- 254.18874858 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe