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: 814
Patents: 220.18271 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.189986	146.8
[M+Na]+	243.171928	155.0
[M-H]-	219.175434	150.9
[M+NH4]+	238.216533	160.2
[M+K]+	259.145868	155.9
[M+H-H2O]+	203.179970	145.2
[M+HCOO]-	265.180911	164.5
[M+CH3COO]-	279.196561	188.8
[M+Na-2H]-	241.157376	152.4
[M]+	220.18216142	146.4
[M]-	220.18325858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe