CID 5460407

L-threonic acid

Structural Information

Molecular Formula

C₄H₈O₅

SMILES

C([C@@H]([C@H](C(=O)O)O)O)O

InChI

InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1

InChIKey

JPIJQSOTBSSVTP-STHAYSLISA-N

Compound name

(2R,3S)-2,3,4-trihydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 126
References: 4371
Patents: 136.03717 Da
Monoisotopic Mass: -2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.04445	126.0
[M+Na]+	159.02639	132.3
[M+NH4]+	154.07099	130.6
[M+K]+	175.00033	132.1
[M-H]-	135.02989	120.9
[M+Na-2H]-	157.01184	125.5
[M]+	136.03662	124.7
[M]-	136.03772	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe