CID 23384149

103724-64-7

Structural Information

Molecular Formula

C₉H₁₅BrO₂

SMILES

COC(=O)C1(CCCC1)CCBr

InChI

InChI=1S/C9H15BrO2/c1-12-8(11)9(6-7-10)4-2-3-5-9/h2-7H2,1H3

InChIKey

OEIWBNJAPVCZOF-UHFFFAOYSA-N

Compound name

methyl 1-(2-bromoethyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 234.02554 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]+	235.03282	151.2
[M+Na]+	257.01476	151.0
[M+NH4]+	252.05936	156.8
[M+K]+	272.98870	151.3
[M-H]-	233.01826	150.3
[M+Na-2H]-	255.00021	152.7
[M]+	234.02499	149.6
[M]-	234.02609	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe