CID 5460032

L-erythrulose

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

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

InChI

InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1

InChIKey

UQPHVQVXLPRNCX-VKHMYHEASA-N

Compound name

(3S)-1,3,4-trihydroxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 290
References: 24378
Patents: 120.04226 Da
Monoisotopic Mass: -2.0
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]+	121.04954	122.5
[M+Na]+	143.03148	130.3
[M+NH4]+	138.07608	128.3
[M+K]+	159.00542	128.4
[M-H]-	119.03498	118.8
[M+Na-2H]-	141.01693	123.6
[M]+	120.04171	122.0
[M]-	120.04281	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe