CID 10846053

4,6,10,12-tridecatetraene-2,8-diol

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(C/C=C/C=C/C(C/C=C/C=C)O)O
InChI
InChI=1S/C13H20O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-8,11-15H,1,9-10H2,2H3/b6-4+,7-5+,11-8+
InChIKey
QPSDEVHCBILQEK-RHEQMUENSA-N
Compound name
(4E,6E,10E)-trideca-4,6,10,12-tetraene-2,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 153.6
[M+Na]+ 231.13555 158.1
[M-H]- 207.13905 150.1
[M+NH4]+ 226.18015 171.1
[M+K]+ 247.10949 153.6
[M+H-H2O]+ 191.14359 148.7
[M+HCOO]- 253.14453 171.4
[M+CH3COO]- 267.16018 183.1
[M+Na-2H]- 229.12100 153.4
[M]+ 208.14578 152.2
[M]- 208.14688 152.2
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

No patent data available for this compound.