CID 6441884

Einecs 261-510-9

Structural Information

Molecular Formula
C15H24O
SMILES
C1CCC/C=C\2/CCC23COCC3CCC1
InChI
InChI=1S/C15H24O/c1-2-4-6-8-14-11-16-12-15(14)10-9-13(15)7-5-3-1/h7,14H,1-6,8-12H2/b13-7-
InChIKey
QMQOUTVLZITRGI-QPEQYQDCSA-N
Compound name
(4Z)-15-oxatricyclo[11.3.0.01,4]hexadec-4-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 143.2
[M+Na]+ 243.171928 145.7
[M-H]- 219.175434 146.3
[M+NH4]+ 238.216533 156.3
[M+K]+ 259.145868 148.0
[M+H-H2O]+ 203.179970 136.8
[M+HCOO]- 265.180911 157.9
[M+CH3COO]- 279.196561 153.5
[M+Na-2H]- 241.157376 147.2
[M]+ 220.18216142 144.2
[M]- 220.18325858 144.2
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.