CID 91900848

896101-50-1

Structural Information

Molecular Formula

C₁₀H₁₅BrO₃

SMILES

CCOC(=O)C1(CCCC1)C(=O)CBr

InChI

InChI=1S/C10H15BrO3/c1-2-14-9(13)10(8(12)7-11)5-3-4-6-10/h2-7H2,1H3

InChIKey

WWFSTHFAEQRBOJ-UHFFFAOYSA-N

Compound name

ethyl 1-(2-bromoacetyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 262.02045 Da
Monoisotopic Mass: 2.6
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]+	263.02773	154.6
[M+Na]+	285.00967	163.8
[M-H]-	261.01317	160.2
[M+NH4]+	280.05427	178.1
[M+K]+	300.98361	154.4
[M+H-H2O]+	245.01771	155.8
[M+HCOO]-	307.01865	173.3
[M+CH3COO]-	321.03430	190.0
[M+Na-2H]-	282.99512	157.9
[M]+	262.01990	173.1
[M]-	262.02100	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe