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
penta-3,4-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 114.9
[M+Na]+ 107.04674 122.8
[M-H]- 83.050244 114.1
[M+NH4]+ 102.09134 138.3
[M+K]+ 123.02068 121.3
[M+H-H2O]+ 67.054780 111.3
[M+HCOO]- 129.05572 138.2
[M+CH3COO]- 143.07137 160.9
[M+Na-2H]- 105.03219 122.2
[M]+ 84.056971 113.9
[M]- 84.058069 113.9
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