CID 5357430

1,2-epoxy-5,9-cyclododecadiene

Structural Information

Molecular Formula
C12H18O
SMILES
C1/C=C/CCC2OC2CC/C=C/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/b5-3+,6-4+
InChIKey
OWUVDWLTQIPNLN-GGWOSOGESA-N
Compound name
(4E,8E)-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1177
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 133.1
[M+Na]+ 201.12499 140.0
[M-H]- 177.12849 136.6
[M+NH4]+ 196.16959 145.5
[M+K]+ 217.09893 141.0
[M+H-H2O]+ 161.13303 130.6
[M+HCOO]- 223.13397 152.3
[M+CH3COO]- 237.14962 145.0
[M+Na-2H]- 199.11044 140.7
[M]+ 178.13522 130.4
[M]- 178.13632 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe