CID 5986428

2,4-pentadienal

Structural Information

Molecular Formula
C5H6O
SMILES
C=C/C=C/C=O
InChI
InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3+
InChIKey
PPXGQLMPUIVFRE-ONEGZZNKSA-N
Compound name
(2E)-penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

1153
Patents

82.04186 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 112.1
[M+Na]+ 105.03108 120.7
[M-H]- 81.034584 112.8
[M+NH4]+ 100.07568 136.2
[M+K]+ 121.00502 119.7
[M+H-H2O]+ 65.039120 108.4
[M+HCOO]- 127.04006 137.1
[M+CH3COO]- 141.05571 162.7
[M+Na-2H]- 103.01653 120.1
[M]+ 82.041311 112.3
[M]- 82.042409 112.3
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.