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

5712
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]+ 107.04674 122.1
[M-H]- 83.050244 114.4
[M+NH4]+ 102.09134 137.9
[M+K]+ 123.02068 121.6
[M+H-H2O]+ 67.054780 110.0
[M+HCOO]- 129.05572 138.6
[M+CH3COO]- 143.07137 163.7
[M+Na-2H]- 105.03219 121.7
[M]+ 84.056971 114.7
[M]- 84.058069 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

literature stripe

Patent stripe

patents stripe