CID 6436727

13786-79-3

Structural Information

Molecular Formula
C15H24O
SMILES
C/C/1=C\CCC2(C(O2)CC/C(=C/CC1)/C)C
InChI
InChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+
InChIKey
PAZWFUGWOAQBJJ-SWZPTJTJSA-N
Compound name
(4E,8E)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1053
Patents

220.18271 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 146.8
[M+Na]+ 243.17193 155.0
[M-H]- 219.17543 150.9
[M+NH4]+ 238.21653 160.2
[M+K]+ 259.14587 155.9
[M+H-H2O]+ 203.17997 145.2
[M+HCOO]- 265.18091 164.5
[M+CH3COO]- 279.19656 188.8
[M+Na-2H]- 241.15738 152.4
[M]+ 220.18216 146.4
[M]- 220.18326 146.4
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

patents stripe