CID 82711397

3-(hydroxymethyl)oxolan-3-ol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

C1COCC1(CO)O

InChI

InChI=1S/C5H10O3/c6-3-5(7)1-2-8-4-5/h6-7H,1-4H2

InChIKey

RQOZSVBKJFQPKJ-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 118.062996 Da
Monoisotopic Mass: -1.3
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]+	119.07027	121.9
[M+Na]+	141.05221	130.7
[M+NH4]+	136.09682	131.2
[M+K]+	157.02615	127.0
[M-H]-	117.05572	122.8
[M+Na-2H]-	139.03766	126.5
[M]+	118.06245	123.2
[M]-	118.06354	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe