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
2
Annotation Hits

0
References

13
Patents

196.14633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 144.0
[M+Na]+ 219.135548 148.0
[M-H]- 195.139054 142.2
[M+NH4]+ 214.180153 159.2
[M+K]+ 235.109488 146.3
[M+H-H2O]+ 179.143590 141.8
[M+HCOO]- 241.144531 160.9
[M+CH3COO]- 255.160181 172.8
[M+Na-2H]- 217.120996 146.6
[M]+ 196.14578142 134.8
[M]- 196.14687858 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.