CID 6441522

Einecs 249-893-0

Structural Information

Molecular Formula
C15H24O
SMILES
CC/1C/C=C\C(C(C2C(O2)CC/C=C1)C)C
InChI
InChI=1S/C15H24O/c1-11-7-4-5-10-14-15(16-14)13(3)12(2)9-6-8-11/h4,6-7,9,11-15H,5,8,10H2,1-3H3/b7-4-,9-6-
InChIKey
CRWCFTCFWWMTPC-FVQWLBQJSA-N
Compound name
(4Z,8Z)-2,3,7-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 144.9
[M+Na]+ 243.17193 158.8
[M+NH4]+ 238.21653 154.2
[M+K]+ 259.14587 153.2
[M-H]- 219.17543 156.5
[M+Na-2H]- 241.15738 152.9
[M]+ 220.18216 151.2
[M]- 220.18326 151.2
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.