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]+ 221.18999 143.2
[M+Na]+ 243.17193 145.7
[M-H]- 219.17543 146.3
[M+NH4]+ 238.21653 156.3
[M+K]+ 259.14587 148.0
[M+H-H2O]+ 203.17997 136.8
[M+HCOO]- 265.18091 157.9
[M+CH3COO]- 279.19656 153.5
[M+Na-2H]- 241.15738 147.2
[M]+ 220.18216 144.2
[M]- 220.18326 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.