CID 16115999

855473-50-6

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC(=O)CC1(CC1)CBr

InChI

InChI=1S/C7H11BrO2/c1-10-6(9)4-7(5-8)2-3-7/h2-5H2,1H3

InChIKey

PNDWPPJIBOBEOE-UHFFFAOYSA-N

Compound name

methyl 2-[1-(bromomethyl)cyclopropyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 205.99425 Da
Monoisotopic Mass: 1.4
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]+	207.00153	131.1
[M+Na]+	228.98347	134.2
[M+NH4]+	224.02807	137.5
[M+K]+	244.95741	134.9
[M-H]-	204.98697	136.4
[M+Na-2H]-	226.96892	137.0
[M]+	205.99370	132.9
[M]-	205.99480	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe