CID 44222804

Ethyl 2-bromo-2-cyclopropylacetate

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

CCOC(=O)C(C1CC1)Br

InChI

InChI=1S/C7H11BrO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3

InChIKey

BTAPHOMYBWYDEU-UHFFFAOYSA-N

Compound name

ethyl 2-bromo-2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 231
Patents: 205.99425 Da
Monoisotopic Mass: 2.1
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]+	207.001526	139.1
[M+Na]+	228.983468	151.2
[M-H]-	204.986974	146.2
[M+NH4]+	224.028073	157.1
[M+K]+	244.957408	141.0
[M+H-H2O]+	188.991510	138.7
[M+HCOO]-	250.992451	159.3
[M+CH3COO]-	265.008101	186.4
[M+Na-2H]-	226.968916	144.8
[M]+	205.99370142	160.1
[M]-	205.99479858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe