CID 70204

1,4-pentadien-3-ol

Structural Information

Molecular Formula
C5H8O
SMILES
C=CC(C=C)O
InChI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2
InChIKey
ICMWSAALRSINTC-UHFFFAOYSA-N
Compound name
penta-1,4-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2045
Patents

84.05752 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.0
[M+Na]+ 107.04674 122.7
[M-H]- 83.050244 114.3
[M+NH4]+ 102.09134 138.3
[M+K]+ 123.02068 121.6
[M+H-H2O]+ 67.054780 111.5
[M+HCOO]- 129.05572 137.3
[M+CH3COO]- 143.07137 162.4
[M+Na-2H]- 105.03219 121.1
[M]+ 84.056971 113.4
[M]- 84.058069 113.4
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