CID 18302

1,2,4-butanetriol

Structural Information

Molecular Formula

C₄H₁₀O₃

SMILES

C(CO)C(CO)O

InChI

InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2

InChIKey

ARXKVVRQIIOZGF-UHFFFAOYSA-N

Compound name

butane-1,2,4-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 30
References: 36524
Patents: 106.062996 Da
Monoisotopic Mass: -1.4
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]+	107.07027	119.8
[M+Na]+	129.05221	128.4
[M+NH4]+	124.09682	126.6
[M+K]+	145.02615	125.2
[M-H]-	105.05572	117.1
[M+Na-2H]-	127.03766	121.9
[M]+	106.06245	119.8
[M]-	106.06354	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe