CID 6243832

Sodium 3-oxobut-1-en-1-olate

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

CC(=O)/C=C/O

InChI

InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,5H,1H3/b3-2+

InChIKey

ZTHWSXBXEILDKD-NSCUHMNNSA-N

Compound name

(E)-4-hydroxybut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 86.03678 Da
Monoisotopic Mass: 0.4
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]+	87.044056	114.9
[M+Na]+	109.02600	125.2
[M+NH4]+	104.07060	122.5
[M+K]+	124.99994	120.7
[M-H]-	85.029504	113.4
[M+Na-2H]-	107.01145	118.5
[M]+	86.036231	115.6
[M]-	86.037329	115.6

Literature stripe

literature stripe

Patent stripe

patents stripe