CID 122515

29660-48-8

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCCC2C(O2)(CCC(=CCC1)C)C
InChI
InChI=1S/C15H24O/c1-12-6-4-7-13(2)10-11-15(3)14(16-15)9-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3
InChIKey
GFVSUUVHHHCABA-UHFFFAOYSA-N
Compound name
1,4,8-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

220.18271 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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