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: 74
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]+	207.001526	138.3
[M+Na]+	228.983468	151.3
[M-H]-	204.986974	145.8
[M+NH4]+	224.028073	158.2
[M+K]+	244.957408	141.7
[M+H-H2O]+	188.991510	139.3
[M+HCOO]-	250.992451	159.1
[M+CH3COO]-	265.008101	185.3
[M+Na-2H]-	226.968916	146.2
[M]+	205.99370142	160.5
[M]-	205.99479858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe