CID 77076

Oxacyclopentadecan-2-one

Structural Information

Molecular Formula
C14H26O2
SMILES
C1CCCCCCC(=O)OCCCCCC1
InChI
InChI=1S/C14H26O2/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-14/h1-13H2
InChIKey
LFSYLMRHJKGLDV-UHFFFAOYSA-N
Compound name
oxacyclopentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2470
Patents

226.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 154.0
[M+Na]+ 249.18250 162.9
[M+NH4]+ 244.22710 161.4
[M+K]+ 265.15644 156.3
[M-H]- 225.18600 158.4
[M+Na-2H]- 247.16795 158.7
[M]+ 226.19273 155.9
[M]- 226.19383 155.9
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