CID 23274265

1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CC(/C=C\CC2(C(O2)CC1)C)(C)C
InChI
InChI=1S/C15H24O/c1-12-6-7-13-15(4,16-13)10-5-9-14(2,3)11-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-
InChIKey
QTGAEXCCAPTGLB-QZFXXANLSA-N
Compound name
(3Z,7Z)-1,5,5,8-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

201
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 147.8
[M+Na]+ 243.17193 161.8
[M+NH4]+ 238.21653 159.8
[M+K]+ 259.14587 152.8
[M-H]- 219.17543 159.4
[M+Na-2H]- 241.15738 158.7
[M]+ 220.18216 154.6
[M]- 220.18326 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe