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]+ 187.11174 162.9
[M+Na]+ 209.09368 170.8
[M-H]- 185.09718 165.3
[M+NH4]+ 204.13828 171.0
[M+K]+ 225.06762 166.8
[M+H-H2O]+ 169.10172 151.7
[M+HCOO]- 231.10266 166.0
[M+CH3COO]- 245.11831 227.3
[M+Na-2H]- 207.07913 161.5
[M]+ 186.10391 155.6
[M]- 186.10501 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.