CID 15448485

Oct-4-yne-1,8-diol

Structural Information

Molecular Formula
C8H14O2
SMILES
C(CC#CCCCO)CO
InChI
InChI=1S/C8H14O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,3-8H2
InChIKey
OTBOSHAYKJIVFZ-UHFFFAOYSA-N
Compound name
oct-4-yne-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

142.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.4
[M+Na]+ 165.08860 139.8
[M+NH4]+ 160.13320 134.1
[M+K]+ 181.06254 131.5
[M-H]- 141.09210 121.2
[M+Na-2H]- 163.07405 130.7
[M]+ 142.09883 128.1
[M]- 142.09993 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe