CID 11816152

20761-68-6

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CCC1(COC(OC1)(C)C)CO

InChI

InChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3

InChIKey

RUUJECRHYIYRSH-UHFFFAOYSA-N

Compound name

(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 170
Patents: 174.1256 Da
Monoisotopic Mass: 0.7
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]+	175.132876	136.2
[M+Na]+	197.114818	142.9
[M-H]-	173.118324	139.8
[M+NH4]+	192.159423	157.4
[M+K]+	213.088758	144.9
[M+H-H2O]+	157.122860	132.7
[M+HCOO]-	219.123801	153.7
[M+CH3COO]-	233.139451	176.5
[M+Na-2H]-	195.100266	145.0
[M]+	174.12505142	136.8
[M]-	174.12614858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe