CID 46839994

1105665-34-6

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

COC(=O)C=C1COC1

InChI

InChI=1S/C6H8O3/c1-8-6(7)2-5-3-9-4-5/h2H,3-4H2,1H3

InChIKey

QUBZUQPHJXYCSI-UHFFFAOYSA-N

Compound name

methyl 2-(oxetan-3-ylidene)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 128.04735 Da
Monoisotopic Mass: -0.6
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]+	129.05463	119.2
[M+Na]+	151.03657	125.0
[M-H]-	127.04007	123.4
[M+NH4]+	146.08117	133.4
[M+K]+	167.01051	129.5
[M+H-H2O]+	111.04461	109.5
[M+HCOO]-	173.04555	140.6
[M+CH3COO]-	187.06120	172.5
[M+Na-2H]-	149.02202	126.2
[M]+	128.04680	128.9
[M]-	128.04790	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe