CID 5364365

5-cis-9-trans-cyclododecadiene-1,2-cis-diol

Structural Information

Molecular Formula
C12H20O2
SMILES
C\1C/C=C\CCC(C(CC/C=C1)O)O
InChI
InChI=1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-14H,1-2,7-10H2/b5-3-,6-4+
InChIKey
BHYILZSOXKSYCF-CIIODKQPSA-N
Compound name
(5E,9Z)-cyclododeca-5,9-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 144.0
[M+Na]+ 219.13555 148.0
[M-H]- 195.13905 142.2
[M+NH4]+ 214.18015 159.2
[M+K]+ 235.10949 146.3
[M+H-H2O]+ 179.14359 141.8
[M+HCOO]- 241.14453 160.9
[M+CH3COO]- 255.16018 172.8
[M+Na-2H]- 217.12100 146.6
[M]+ 196.14578 134.8
[M]- 196.14688 134.8
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.