CID 150929

3,4-dihydroxybutanoic acid

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

C(C(CO)O)C(=O)O

InChI

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

InChIKey

DZAIOXUZHHTJKN-UHFFFAOYSA-N

Compound name

3,4-dihydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 19
References: 1151
Patents: 120.04226 Da
Monoisotopic Mass: -1.6
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