CID 80421

2-pentyn-1-ol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

6
References

4288
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 114.6
[M+Na]+ 107.04674 124.5
[M-H]- 83.050244 113.6
[M+NH4]+ 102.09134 135.7
[M+K]+ 123.02068 123.0
[M+H-H2O]+ 67.054780 105.1
[M+HCOO]- 129.05572 132.2
[M+CH3COO]- 143.07137 170.8
[M+Na-2H]- 105.03219 121.3
[M]+ 84.056971 109.2
[M]- 84.058069 109.2
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