CID 14278

1121-97-7

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC1(COCOC1)CO

InChI

InChI=1S/C6H12O3/c1-6(2-7)3-8-5-9-4-6/h7H,2-5H2,1H3

InChIKey

XZDDZTGNCUMJHI-UHFFFAOYSA-N

Compound name

(5-methyl-1,3-dioxan-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 190
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	125.7
[M+Na]+	155.06786	136.5
[M+NH4]+	150.11246	135.4
[M+K]+	171.04180	130.5
[M-H]-	131.07136	129.3
[M+Na-2H]-	153.05331	131.3
[M]+	132.07809	128.3
[M]-	132.07919	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe