CID 53308471

Ethyl 2-(oxetan-3-ylidene)acetate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CCOC(=O)C=C1COC1

InChI

InChI=1S/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3

InChIKey

CVZGHWOZWYWLBL-UHFFFAOYSA-N

Compound name

ethyl 2-(oxetan-3-ylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 260
Patents: 142.06299 Da
Monoisotopic Mass: -0.2
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]+	143.070266	124.0
[M+Na]+	165.052208	129.4
[M-H]-	141.055714	128.1
[M+NH4]+	160.096813	137.7
[M+K]+	181.026148	133.6
[M+H-H2O]+	125.060250	114.1
[M+HCOO]-	187.061191	145.1
[M+CH3COO]-	201.076841	175.4
[M+Na-2H]-	163.037656	130.4
[M]+	142.06244142	134.1
[M]-	142.06353858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe