CID 83797

4-penten-2-one

Structural Information

Molecular Formula
C5H8O
SMILES
CC(=O)CC=C
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
InChIKey
PNJWIWWMYCMZRO-UHFFFAOYSA-N
Compound name
pent-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43957
Patents

84.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.6
[M+Na]+ 107.04674 126.7
[M+NH4]+ 102.09134 124.0
[M+K]+ 123.02068 121.1
[M-H]- 83.050244 115.2
[M+Na-2H]- 105.03219 120.0
[M]+ 84.056971 116.8
[M]- 84.058069 116.8
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