CID 30694

3-deoxypentonic acid

Structural Information

Molecular Formula
C5H10O5
SMILES
C(C(CO)O)C(C(=O)O)O
InChI
InChI=1S/C5H10O5/c6-2-3(7)1-4(8)5(9)10/h3-4,6-8H,1-2H2,(H,9,10)
InChIKey
RSKGLBJVIAQRMC-UHFFFAOYSA-N
Compound name
2,4,5-trihydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

282
Patents

150.05283 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06011 130.7
[M+Na]+ 173.04205 136.0
[M-H]- 149.04555 125.5
[M+NH4]+ 168.08665 148.7
[M+K]+ 189.01599 135.6
[M+H-H2O]+ 133.05009 126.5
[M+HCOO]- 195.05103 147.1
[M+CH3COO]- 209.06668 165.9
[M+Na-2H]- 171.02750 132.2
[M]+ 150.05228 128.5
[M]- 150.05338 128.5
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