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

16
Patents

236.21402 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 149.8
[M+Na]+ 259.20324 153.1
[M-H]- 235.20674 153.1
[M+NH4]+ 254.24784 159.3
[M+K]+ 275.17718 154.1
[M+H-H2O]+ 219.21128 147.1
[M+HCOO]- 281.21222 164.5
[M+CH3COO]- 295.22787 159.0
[M+Na-2H]- 257.18869 153.7
[M]+ 236.21347 142.4
[M]- 236.21457 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