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]+ 187.11174 154.7
[M+Na]+ 209.09368 163.9
[M-H]- 185.09718 154.6
[M+NH4]+ 204.13828 167.6
[M+K]+ 225.06762 158.5
[M+H-H2O]+ 169.10172 141.6
[M+HCOO]- 231.10266 163.4
[M+CH3COO]- 245.11831 206.4
[M+Na-2H]- 207.07913 155.3
[M]+ 186.10391 146.5
[M]- 186.10501 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.