CID 5364752

Trans-2-pentenal

Structural Information

Molecular Formula
C5H8O
SMILES
CC/C=C/C=O
InChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKey
DTCCTIQRPGSLPT-ONEGZZNKSA-N
Compound name
(E)-pent-2-enal
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

56
References

5536
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 113.7
[M+Na]+ 107.046738 122.1
[M-H]- 83.050244 114.4
[M+NH4]+ 102.091343 137.9
[M+K]+ 123.020678 121.6
[M+H-H2O]+ 67.054780 110.0
[M+HCOO]- 129.055721 138.6
[M+CH3COO]- 143.071371 163.7
[M+Na-2H]- 105.032186 121.7
[M]+ 84.05697142 114.7
[M]- 84.05806858 114.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.