CID 176472474

Trideca-3,9,12-triene-6,7-diol

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC=CCC(C(CC=CCC=C)O)O
InChI
InChI=1S/C13H22O2/c1-3-5-7-9-11-13(15)12(14)10-8-6-4-2/h3,6-9,12-15H,1,4-5,10-11H2,2H3
InChIKey
CUOTUHAOTGVZMI-UHFFFAOYSA-N
Compound name
trideca-3,9,12-triene-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 155.1
[M+Na]+ 233.151208 159.1
[M-H]- 209.154714 151.5
[M+NH4]+ 228.195813 172.5
[M+K]+ 249.125148 155.3
[M+H-H2O]+ 193.159250 150.1
[M+HCOO]- 255.160191 172.7
[M+CH3COO]- 269.175841 184.6
[M+Na-2H]- 231.136656 154.8
[M]+ 210.16144142 154.5
[M]- 210.16253858 154.5
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.