CID 137935403

5-(bromomethyl)spiro[3.5]nonane

Structural Information

Molecular Formula

C₁₀H₁₇Br

SMILES

C1CCC2(CCC2)C(C1)CBr

InChI

InChI=1S/C10H17Br/c11-8-9-4-1-2-5-10(9)6-3-7-10/h9H,1-8H2

InChIKey

ZTAAAJUOSVEDMB-UHFFFAOYSA-N

Compound name

9-(bromomethyl)spiro[3.5]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.05136 Da
Monoisotopic Mass: 4.5
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]+	217.058636	134.0
[M+Na]+	239.040578	141.7
[M-H]-	215.044084	141.5
[M+NH4]+	234.085183	152.3
[M+K]+	255.014518	134.5
[M+H-H2O]+	199.048620	131.2
[M+HCOO]-	261.049561	150.6
[M+CH3COO]-	275.065211	187.3
[M+Na-2H]-	237.026026	141.7
[M]+	216.05081142	155.1
[M]-	216.05190858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.