CID 32855

25251-62-1

Structural Information

Molecular Formula

C₁₀H₁₅BrN

SMILES

C[N+](C)(C)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H15BrN/c1-12(2,3)8-9-4-6-10(11)7-5-9/h4-7H,8H2,1-3H3/q+1

InChIKey

RNDZXWHHAVFRIT-UHFFFAOYSA-N

Compound name

(4-bromophenyl)methyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 228.03879 Da
Monoisotopic Mass: 2.5
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]+	229.04607	143.2
[M+Na]+	251.02801	154.3
[M-H]-	227.03151	151.2
[M+NH4]+	246.07261	165.7
[M+K]+	267.00195	138.9
[M+H-H2O]+	211.03605	146.0
[M+HCOO]-	273.03699	165.3
[M+CH3COO]-	287.05264	187.2
[M+Na-2H]-	249.01346	154.4
[M]+	228.03824	161.7
[M]-	228.03934	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe