CID 176472521

Trideca-1,7-diene-4,5-diol

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCC=CCC(C(CC=C)O)O
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-11-13(15)12(14)10-4-2/h4,8-9,12-15H,2-3,5-7,10-11H2,1H3
InChIKey
IUEDXGPVPUQOOV-UHFFFAOYSA-N
Compound name
trideca-1,7-diene-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 156.5
[M+Na]+ 235.166848 160.2
[M-H]- 211.170354 152.9
[M+NH4]+ 230.211453 173.9
[M+K]+ 251.140788 156.9
[M+H-H2O]+ 195.174890 151.4
[M+HCOO]- 257.175831 173.9
[M+CH3COO]- 271.191481 186.2
[M+Na-2H]- 233.152296 156.2
[M]+ 212.17708142 156.7
[M]- 212.17817858 156.7
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.