CID 64986089

(trimethoxymethyl)cyclobutane

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

COC(C1CCC1)(OC)OC

InChI

InChI=1S/C8H16O3/c1-9-8(10-2,11-3)7-5-4-6-7/h7H,4-6H2,1-3H3

InChIKey

ZYGQIILSQBIHIH-UHFFFAOYSA-N

Compound name

trimethoxymethylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 160.10994 Da
Monoisotopic Mass: 1.1
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]+	161.117216	131.2
[M+Na]+	183.099158	136.2
[M-H]-	159.102664	134.6
[M+NH4]+	178.143763	145.7
[M+K]+	199.073098	140.3
[M+H-H2O]+	143.107200	121.6
[M+HCOO]-	205.108141	151.9
[M+CH3COO]-	219.123791	181.0
[M+Na-2H]-	181.084606	137.9
[M]+	160.10939142	142.8
[M]-	160.11048858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe