CID 137951517

Methyl 2-(bromomethyl)oxolane-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₁BrO₃

SMILES

COC(=O)C1(CCCO1)CBr

InChI

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

InChIKey

UQBVHFQQKXZWSF-UHFFFAOYSA-N

Compound name

methyl 2-(bromomethyl)oxolane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	222.996446	141.5
[M+Na]+	244.978388	151.9
[M-H]-	220.981894	148.0
[M+NH4]+	240.022993	165.5
[M+K]+	260.952328	144.2
[M+H-H2O]+	204.986430	143.1
[M+HCOO]-	266.987371	161.1
[M+CH3COO]-	281.003021	181.6
[M+Na-2H]-	242.963836	148.4
[M]+	221.98862142	160.9
[M]-	221.98971858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.