CID 536100

Dtxsid801025003

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

CC1(OOC(OO1)(C)C)C

InChI

InChI=1S/C6H12O4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3

InChIKey

SJQITXILEOCXGI-UHFFFAOYSA-N

Compound name

3,3,6,6-tetramethyl-1,2,4,5-tetraoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 458
Patents: 148.07356 Da
Monoisotopic Mass: 1.2
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]+	149.080836	125.2
[M+Na]+	171.062778	133.6
[M-H]-	147.066284	132.0
[M+NH4]+	166.107383	145.3
[M+K]+	187.036718	139.6
[M+H-H2O]+	131.070820	122.1
[M+HCOO]-	193.071761	143.4
[M+CH3COO]-	207.087411	173.2
[M+Na-2H]-	169.048226	138.0
[M]+	148.07301142	129.3
[M]-	148.07410858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe