CID 66295

3-pentyn-1-ol

Structural Information

Molecular Formula
C5H8O
SMILES
CC#CCCO
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
InChIKey
IDYNOORNKYEHHO-UHFFFAOYSA-N
Compound name
pent-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

925
Patents

84.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.9
[M+Na]+ 107.04674 125.7
[M+NH4]+ 102.09134 119.9
[M+K]+ 123.02068 117.3
[M-H]- 83.050244 106.8
[M+Na-2H]- 105.03219 116.9
[M]+ 84.056971 113.2
[M]- 84.058069 113.2
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