CID 75481294

Methyl 4-bromooxane-4-carboxylate

Structural Information

Molecular Formula

C₇H₁₁BrO₃

SMILES

COC(=O)C1(CCOCC1)Br

InChI

InChI=1S/C7H11BrO3/c1-10-6(9)7(8)2-4-11-5-3-7/h2-5H2,1H3

InChIKey

IRZPHSPDRUMIIN-UHFFFAOYSA-N

Compound name

methyl 4-bromooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.98917 Da
Monoisotopic Mass: 1.1
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]+	222.99645	139.5
[M+Na]+	244.97839	140.6
[M+NH4]+	240.02299	145.1
[M+K]+	260.95233	140.6
[M-H]-	220.98189	140.1
[M+Na-2H]-	242.96384	142.1
[M]+	221.98862	138.6
[M]-	221.98972	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe