CID 58404555

1311312-00-1

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC(=O)C1CCC(C1)Br

InChI

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

InChIKey

NBNSTTSIQITBMQ-UHFFFAOYSA-N

Compound name

methyl 3-bromocyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 205.99425 Da
Monoisotopic Mass: 1.8
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]+	207.00153	141.0
[M+Na]+	228.98347	141.4
[M+NH4]+	224.02807	145.6
[M+K]+	244.95741	143.8
[M-H]-	204.98697	140.2
[M+Na-2H]-	226.96892	141.5
[M]+	205.99370	139.3
[M]-	205.99480	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe