CID 15301050

30038-94-9

Structural Information

Molecular Formula

C₈H₁₃BrO₂

SMILES

CCOC(=O)C1(CCCC1)Br

InChI

InChI=1S/C8H13BrO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3

InChIKey

HKNNXQUAMZHIER-UHFFFAOYSA-N

Compound name

ethyl 1-bromocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 220.00989 Da
Monoisotopic Mass: 2.3
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]+	221.017166	144.0
[M+Na]+	242.999108	154.1
[M-H]-	219.002614	149.9
[M+NH4]+	238.043713	169.3
[M+K]+	258.973048	144.8
[M+H-H2O]+	203.007150	145.5
[M+HCOO]-	265.008091	163.9
[M+CH3COO]-	279.023741	182.6
[M+Na-2H]-	240.984556	149.3
[M]+	220.00934142	161.7
[M]-	220.01043858	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe