CID 175854

2-butene-1,4-diol

Structural Information

Molecular Formula

C₄H₈O₂

SMILES

C(/C=C/CO)O

InChI

InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+

InChIKey

ORTVZLZNOYNASJ-OWOJBTEDSA-N

Compound name

(E)-but-2-ene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 36485
Patents: 88.05243 Da
Monoisotopic Mass: -0.8
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]+	89.059706	115.9
[M+Na]+	111.04165	123.5
[M-H]-	87.045154	113.7
[M+NH4]+	106.08625	138.4
[M+K]+	127.01559	122.3
[M+H-H2O]+	71.049690	112.3
[M+HCOO]-	133.05063	138.0
[M+CH3COO]-	147.06628	158.1
[M+Na-2H]-	109.02710	123.0
[M]+	88.051881	114.7
[M]-	88.052979	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe