CID 22559443

19888-33-6

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C/CCC2(C(O2)CC(/C=C\C1)(C)C)C
InChI
InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8-
InChIKey
RKQDKXOBRXTSFS-QZFXXANLSA-N
Compound name
(4Z,7Z)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 147.2
[M+Na]+ 243.17193 156.3
[M-H]- 219.17543 151.4
[M+NH4]+ 238.21653 162.5
[M+K]+ 259.14587 158.0
[M+H-H2O]+ 203.17997 146.3
[M+HCOO]- 265.18091 164.8
[M+CH3COO]- 279.19656 189.6
[M+Na-2H]- 241.15738 153.8
[M]+ 220.18216 148.4
[M]- 220.18326 148.4
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