CID 101412523

(e)-2-tridecene-4,6,8-triyn-1-ol

Structural Information

Molecular Formula
C13H14O
SMILES
CCCCC#CC#CC#C/C=C/CO
InChI
InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-4,13H2,1H3/b12-11+
InChIKey
FMSLWOPQZBZTPK-VAWYXSNFSA-N
Compound name
(E)-tridec-2-en-4,6,8-triyn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

186.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 162.9
[M+Na]+ 209.093678 170.8
[M-H]- 185.097184 165.3
[M+NH4]+ 204.138283 171.0
[M+K]+ 225.067618 166.8
[M+H-H2O]+ 169.101720 151.7
[M+HCOO]- 231.102661 166.0
[M+CH3COO]- 245.118311 227.3
[M+Na-2H]- 207.079126 161.5
[M]+ 186.10391142 155.6
[M]- 186.10500858 155.6
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.