CID 131752390

(all-e)-3,5,7-tridecatriene-9,11-diyn-1-ol

Structural Information

Molecular Formula
C13H14O
SMILES
CC#CC#C/C=C\C=C/C=C/CCO
InChI
InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-11,14H,12-13H2,1H3/b7-6-,9-8-,11-10+
InChIKey
CNMWTIVSNRLOLQ-ZUHOWUEJSA-N
Compound name
(3E,5Z,7Z)-trideca-3,5,7-trien-9,11-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

186.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 154.7
[M+Na]+ 209.093678 163.9
[M-H]- 185.097184 154.6
[M+NH4]+ 204.138283 167.6
[M+K]+ 225.067618 158.5
[M+H-H2O]+ 169.101720 141.6
[M+HCOO]- 231.102661 163.4
[M+CH3COO]- 245.118311 206.4
[M+Na-2H]- 207.079126 155.3
[M]+ 186.10391142 146.5
[M]- 186.10500858 146.5
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.