CID 9548569

1-deoxy-d-xylulose

Structural Information

Molecular Formula
C5H10O4
SMILES
CC(=O)[C@H]([C@@H](CO)O)O
InChI
InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3/t4-,5-/m1/s1
InChIKey
IGUZJYCAXLYZEE-RFZPGFLSSA-N
Compound name
(3S,4R)-3,4,5-trihydroxypentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

1431
Patents

134.0579 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06518 127.5
[M+Na]+ 157.04712 133.3
[M-H]- 133.05062 123.8
[M+NH4]+ 152.09172 146.9
[M+K]+ 173.02106 133.3
[M+H-H2O]+ 117.05516 123.4
[M+HCOO]- 179.05610 145.2
[M+CH3COO]- 193.07175 166.1
[M+Na-2H]- 155.03257 129.5
[M]+ 134.05735 125.7
[M]- 134.05845 125.7
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