CID 642034

626-99-3

Structural Information

Molecular Formula
C5H6O2
SMILES
C=C/C=C/C(=O)O
InChI
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
InChIKey
SDVVLIIVFBKBMG-ONEGZZNKSA-N
Compound name
(2E)-penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1576
Patents

98.03678 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 118.7
[M+Na]+ 121.02600 128.8
[M+NH4]+ 116.07060 125.9
[M+K]+ 136.99994 124.0
[M-H]- 97.029504 116.9
[M+Na-2H]- 119.01145 121.9
[M]+ 98.036231 119.3
[M]- 98.037329 119.3
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

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