CID 154728817

Methyl 4-(bromomethyl)bicyclo[2.2.1]heptane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅BrO₂

SMILES

COC(=O)C12CCC(C1)(CC2)CBr

InChI

InChI=1S/C10H15BrO2/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h2-7H2,1H3

InChIKey

XQVKPSHABSRHCA-UHFFFAOYSA-N

Compound name

methyl 4-(bromomethyl)bicyclo[2.2.1]heptane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.02554 Da
Monoisotopic Mass: 2.1
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]+	247.032816	155.2
[M+Na]+	269.014758	166.2
[M-H]-	245.018264	160.8
[M+NH4]+	264.059363	184.5
[M+K]+	284.988698	156.3
[M+H-H2O]+	229.022800	158.0
[M+HCOO]-	291.023741	173.6
[M+CH3COO]-	305.039391	187.4
[M+Na-2H]-	267.000206	160.8
[M]+	246.02499142	174.0
[M]-	246.02608858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.