CID 130038479

41384-63-8

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

COC(=O)C1(CCC1)CBr

InChI

InChI=1S/C7H11BrO2/c1-10-6(9)7(5-8)3-2-4-7/h2-5H2,1H3

InChIKey

DLBQYJRCFJGWFS-UHFFFAOYSA-N

Compound name

methyl 1-(bromomethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.99425 Da
Monoisotopic Mass: 1.7
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]+	207.001526	129.1
[M+Na]+	228.983468	138.5
[M-H]-	204.986974	135.3
[M+NH4]+	224.028073	147.3
[M+K]+	244.957408	132.4
[M+H-H2O]+	188.991510	126.5
[M+HCOO]-	250.992451	148.4
[M+CH3COO]-	265.008101	184.9
[M+Na-2H]-	226.968916	136.9
[M]+	205.99370142	155.7
[M]-	205.99479858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe