CID 13049641

Owuvdwltqipnln-axtjxfabsa-n

Structural Information

Molecular Formula
C12H18O
SMILES
C\1C/C=C\CC[C@@H]2[C@H](O2)CC/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+/t11-,12-/m1/s1
InChIKey
OWUVDWLTQIPNLN-AXTJXFABSA-N
Compound name
(1R,4Z,8E,12R)-13-oxabicyclo[10.1.0]trideca-4,8-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

483
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.