CID 10105

Promoxolane

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)C1(OCC(O1)CO)C(C)C

InChI

InChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3

InChIKey

HHFOOWPWAXNJNY-UHFFFAOYSA-N

Compound name

[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1838
Patents: 188.14125 Da
Monoisotopic Mass: 1.7
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]+	189.148526	143.9
[M+Na]+	211.130468	149.7
[M-H]-	187.133974	147.1
[M+NH4]+	206.175073	164.2
[M+K]+	227.104408	151.6
[M+H-H2O]+	171.138510	140.3
[M+HCOO]-	233.139451	161.1
[M+CH3COO]-	247.155101	181.2
[M+Na-2H]-	209.115916	147.1
[M]+	188.14070142	145.1
[M]-	188.14179858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe