CID 6436440

Einecs 238-903-9

Structural Information

Molecular Formula
C15H24O
SMILES
CC\1C/C=C/C(CC2C(O2)C(C/C=C1)C)C
InChI
InChI=1S/C15H24O/c1-11-6-4-8-12(2)10-14-15(16-14)13(3)9-5-7-11/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-5+,8-4+
InChIKey
QPNXWGRYYRSVET-JBVHCYJISA-N
Compound name
(4E,8E)-2,6,10-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

242
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 145.4
[M+Na]+ 243.17193 153.9
[M-H]- 219.17543 149.6
[M+NH4]+ 238.21653 157.2
[M+K]+ 259.14587 153.7
[M+H-H2O]+ 203.17997 143.2
[M+HCOO]- 265.18091 163.5
[M+CH3COO]- 279.19656 190.3
[M+Na-2H]- 241.15738 149.6
[M]+ 220.18216 145.0
[M]- 220.18326 145.0
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.