CID 71463637

Methyl 3-methyloxetane-3-carboxylate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(COC1)C(=O)OC

InChI

InChI=1S/C6H10O3/c1-6(3-9-4-6)5(7)8-2/h3-4H2,1-2H3

InChIKey

SNJQLBQMKLNJPR-UHFFFAOYSA-N

Compound name

methyl 3-methyloxetane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	131.07027	121.1
[M+Na]+	153.05221	127.5
[M-H]-	129.05571	125.8
[M+NH4]+	148.09681	137.4
[M+K]+	169.02615	132.6
[M+H-H2O]+	113.06025	112.8
[M+HCOO]-	175.06119	142.4
[M+CH3COO]-	189.07684	173.6
[M+Na-2H]-	151.03766	129.2
[M]+	130.06244	132.0
[M]-	130.06354	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.