CID 21140178

3-deoxy-d-glycero-pentos-2-ulose

Structural Information

Molecular Formula
C5H8O4
SMILES
C([C@@H](CO)O)C(=O)C=O
InChI
InChI=1S/C5H8O4/c6-2-4(8)1-5(9)3-7/h2,5,7,9H,1,3H2/t5-/m0/s1
InChIKey
QFNWRVAZZYFNCF-YFKPBYRVSA-N
Compound name
(4S)-4,5-dihydroxy-2-oxopentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

132.04225 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 125.8
[M+Na]+ 155.03147 133.9
[M+NH4]+ 150.07607 131.5
[M+K]+ 171.00541 131.4
[M-H]- 131.03497 122.3
[M+Na-2H]- 153.01692 127.0
[M]+ 132.04170 125.4
[M]- 132.04280 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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