CID 19838536

17-oxabicyclo[14.1.0]heptadec-8-ene

Structural Information

Molecular Formula
C16H28O
SMILES
C1CCCC2C(O2)CCCCCC/C=C\CC1
InChI
InChI=1S/C16H28O/c1-2-4-6-8-10-12-14-16-15(17-16)13-11-9-7-5-3-1/h1-2,15-16H,3-14H2/b2-1-
InChIKey
QJDXLECULVHLTA-UPHRSURJSA-N
Compound name
(8Z)-17-oxabicyclo[14.1.0]heptadec-8-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

236.21402 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 149.8
[M+Na]+ 259.203238 153.1
[M-H]- 235.206744 153.1
[M+NH4]+ 254.247843 159.3
[M+K]+ 275.177178 154.1
[M+H-H2O]+ 219.211280 147.1
[M+HCOO]- 281.212221 164.5
[M+CH3COO]- 295.227871 159.0
[M+Na-2H]- 257.188686 153.7
[M]+ 236.21347142 142.4
[M]- 236.21456858 142.4
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