CID 12384726

(2-methyl-1,3-dioxolan-2-yl)methanol

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC1(OCCO1)CO

InChI

InChI=1S/C5H10O3/c1-5(4-6)7-2-3-8-5/h6H,2-4H2,1H3

InChIKey

AHQLLEIQWZZXGP-UHFFFAOYSA-N

Compound name

(2-methyl-1,3-dioxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 118.062996 Da
Monoisotopic Mass: -0.6
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]+	119.07027	120.1
[M+Na]+	141.05221	127.4
[M-H]-	117.05572	123.6
[M+NH4]+	136.09682	142.9
[M+K]+	157.02615	129.7
[M+H-H2O]+	101.06026	116.7
[M+HCOO]-	163.06120	141.0
[M+CH3COO]-	177.07685	163.1
[M+Na-2H]-	139.03766	129.0
[M]+	118.06245	120.3
[M]-	118.06354	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe