CID 71441695

Nona-3,5,7-triyn-1-ol

Structural Information

Molecular Formula
C9H8O
SMILES
CC#CC#CC#CCCO
InChI
InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h10H,8-9H2,1H3
InChIKey
OMYDFQNJZABHNO-UHFFFAOYSA-N
Compound name
nona-3,5,7-triyn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.05751 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.064786 155.5
[M+Na]+ 155.046728 163.8
[M-H]- 131.050234 158.0
[M+NH4]+ 150.091333 164.3
[M+K]+ 171.020668 160.5
[M+H-H2O]+ 115.054770 144.5
[M+HCOO]- 177.055711 158.9
[M+CH3COO]- 191.071361 223.7
[M+Na-2H]- 153.032176 155.0
[M]+ 132.05696142 147.9
[M]- 132.05805858 147.9
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.