CID 70203

2-ethylacrolein

Structural Information

Molecular Formula
C5H8O
SMILES
CCC(=C)C=O
InChI
InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3
InChIKey
GMLDCZYTIPCVMO-UHFFFAOYSA-N
Compound name
2-methylidenebutanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2415
Patents

84.05752 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 113.8
[M+Na]+ 107.04674 121.9
[M-H]- 83.050244 114.6
[M+NH4]+ 102.09134 137.9
[M+K]+ 123.02068 121.8
[M+H-H2O]+ 67.054780 110.1
[M+HCOO]- 129.05572 137.7
[M+CH3COO]- 143.07137 165.2
[M+Na-2H]- 105.03219 120.5
[M]+ 84.056971 114.2
[M]- 84.058069 114.2
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