CID 538742

53951-43-2

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC1COC(O1)(C)CO

InChI

InChI=1S/C6H12O3/c1-5-3-8-6(2,4-7)9-5/h5,7H,3-4H2,1-2H3

InChIKey

YYMZBDSPZJJXJM-UHFFFAOYSA-N

Compound name

(2,4-dimethyl-1,3-dioxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 132.07864 Da
Monoisotopic Mass: -0.2
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]+	133.08592	124.6
[M+Na]+	155.06786	134.6
[M+NH4]+	150.11246	134.0
[M+K]+	171.04180	131.0
[M-H]-	131.07136	127.4
[M+Na-2H]-	153.05331	129.0
[M]+	132.07809	126.8
[M]-	132.07919	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe