CID 106767

7,18-dioxabicyclo[15.1.0]octadecan-8-one

Structural Information

Molecular Formula
C16H28O3
SMILES
C1CCCCC(=O)OCCCCCC2C(O2)CCC1
InChI
InChI=1S/C16H28O3/c17-16-12-8-4-2-1-3-6-10-14-15(19-14)11-7-5-9-13-18-16/h14-15H,1-13H2
InChIKey
FOHBCHGUDYIMHM-UHFFFAOYSA-N
Compound name
7,18-dioxabicyclo[15.1.0]octadecan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.20386 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 157.3
[M+Na]+ 291.19308 160.7
[M-H]- 267.19658 161.5
[M+NH4]+ 286.23768 164.2
[M+K]+ 307.16702 163.1
[M+H-H2O]+ 251.20112 155.0
[M+HCOO]- 313.20206 169.5
[M+CH3COO]- 327.21771 190.3
[M+Na-2H]- 289.17853 160.3
[M]+ 268.20331 150.7
[M]- 268.20441 150.7
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