CID 15503524

Lentialexin

Structural Information

Molecular Formula
C8H8O
SMILES
C=CC#CC#CCCO
InChI
InChI=1S/C8H8O/c1-2-3-4-5-6-7-8-9/h2,9H,1,7-8H2
InChIKey
AGWFAJXETXIOEE-UHFFFAOYSA-N
Compound name
oct-7-en-3,5-diyn-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

120.05752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.064796 139.0
[M+Na]+ 143.046738 149.0
[M-H]- 119.050244 139.4
[M+NH4]+ 138.091343 153.6
[M+K]+ 159.020678 145.4
[M+H-H2O]+ 103.054780 126.4
[M+HCOO]- 165.055721 148.5
[M+CH3COO]- 179.071371 198.8
[M+Na-2H]- 141.032186 141.6
[M]+ 120.05697142 130.6
[M]- 120.05806858 130.6
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

patents stripe