CID 79135

943-93-1

Structural Information

Molecular Formula
C12H18O
SMILES
C1CC=CCCC2C(O2)CCC=C1
InChI
InChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3-6,11-12H,1-2,7-10H2
InChIKey
OWUVDWLTQIPNLN-UHFFFAOYSA-N
Compound name
13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1567
Patents

178.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 135.6
[M+Na]+ 201.12499 149.0
[M+NH4]+ 196.16959 145.3
[M+K]+ 217.09893 143.4
[M-H]- 177.12849 147.0
[M+Na-2H]- 199.11044 144.7
[M]+ 178.13522 141.7
[M]- 178.13632 141.7
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.