CID 11528367

(3s,4r)-3,4,5-trihydroxypentanoic acid

Structural Information

Molecular Formula
C5H10O5
SMILES
C([C@@H]([C@@H](CO)O)O)C(=O)O
InChI
InChI=1S/C5H10O5/c6-2-4(8)3(7)1-5(9)10/h3-4,6-8H,1-2H2,(H,9,10)/t3-,4+/m0/s1
InChIKey
VBUWJOHKCBQXNU-IUYQGCFVSA-N
Compound name
(3S,4R)-3,4,5-trihydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

150.05283 Da
Monoisotopic Mass

-2.2
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