CID 12628864

Oxacyclononadecan-2-one

Structural Information

Molecular Formula
C18H34O2
SMILES
C1CCCCCCCCC(=O)OCCCCCCCC1
InChI
InChI=1S/C18H34O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-17H2
InChIKey
PGRBVLPTXLOMNB-UHFFFAOYSA-N
Compound name
oxacyclononadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

282.2559 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.26318 169.8
[M+Na]+ 305.24512 167.7
[M-H]- 281.24862 170.8
[M+NH4]+ 300.28972 179.8
[M+K]+ 321.21906 167.7
[M+H-H2O]+ 265.25316 166.4
[M+HCOO]- 327.25410 180.8
[M+CH3COO]- 341.26975 187.9
[M+Na-2H]- 303.23057 168.5
[M]+ 282.25535 154.5
[M]- 282.25645 154.5
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.