CID 11051574

3,4-pentadien-1-ol

Structural Information

Molecular Formula
C5H8O
SMILES
C=C=CCCO
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2
InChIKey
WHQNQGMPXBYFSM-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

84.05752 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.8
[M+Na]+ 107.04674 126.7
[M+NH4]+ 102.09134 124.0
[M+K]+ 123.02068 120.6
[M-H]- 83.050244 115.1
[M+Na-2H]- 105.03219 120.0
[M]+ 84.056971 116.9
[M]- 84.058069 116.9
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

patents stripe