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: 37
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]+	235.032816	148.6
[M+Na]+	257.014758	158.3
[M-H]-	233.018264	154.3
[M+NH4]+	252.059363	173.4
[M+K]+	272.988698	148.8
[M+H-H2O]+	217.022800	149.9
[M+HCOO]-	279.023741	168.2
[M+CH3COO]-	293.039391	185.4
[M+Na-2H]-	255.000206	153.4
[M]+	234.02499142	166.7
[M]-	234.02608858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe