CID 55296082

Methyl 3-oxetaneacetate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(=O)CC1COC1

InChI

InChI=1S/C6H10O3/c1-8-6(7)2-5-3-9-4-5/h5H,2-4H2,1H3

InChIKey

CVAXOLXQNVHXOJ-UHFFFAOYSA-N

Compound name

methyl 2-(oxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 130.06299 Da
Monoisotopic Mass: -0.1
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]+	131.070266	120.3
[M+Na]+	153.052208	125.7
[M-H]-	129.055714	124.4
[M+NH4]+	148.096813	134.4
[M+K]+	169.026148	130.8
[M+H-H2O]+	113.060250	110.4
[M+HCOO]-	175.061191	141.5
[M+CH3COO]-	189.076841	174.0
[M+Na-2H]-	151.037656	127.2
[M]+	130.06244142	130.8
[M]-	130.06353858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe