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
5
Annotation Hits

7
References

1039
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

literature stripe

Patent stripe

patents stripe