CID 167724786

3-(methoxymethyl)oxetane-3-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COCC1(COC1)C=O

InChI

InChI=1S/C6H10O3/c1-8-3-6(2-7)4-9-5-6/h2H,3-5H2,1H3

InChIKey

LQUNWTBJDFIJBH-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)oxetane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.06299 Da
Monoisotopic Mass: -1.0
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]+	131.070266	119.1
[M+Na]+	153.052208	125.6
[M-H]-	129.055714	123.6
[M+NH4]+	148.096813	135.3
[M+K]+	169.026148	130.3
[M+H-H2O]+	113.060250	110.7
[M+HCOO]-	175.061191	141.3
[M+CH3COO]-	189.076841	173.4
[M+Na-2H]-	151.037656	128.6
[M]+	130.06244142	130.7
[M]-	130.06353858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.