CID 11988160

90944-51-7

Structural Information

Molecular Formula

C₁₀H₁₄BrN

SMILES

CC(C)NCC1=CC=CC=C1Br

InChI

InChI=1S/C10H14BrN/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3

InChIKey

NFLHVGAIJGWPQT-UHFFFAOYSA-N

Compound name

N-[(2-bromophenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 227.03096 Da
Monoisotopic Mass: 2.8
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]+	228.038236	144.2
[M+Na]+	250.020178	154.1
[M-H]-	226.023684	150.2
[M+NH4]+	245.064783	165.7
[M+K]+	265.994118	142.9
[M+H-H2O]+	210.028220	143.7
[M+HCOO]-	272.029161	165.7
[M+CH3COO]-	286.044811	191.1
[M+Na-2H]-	248.005626	151.0
[M]+	227.03041142	161.9
[M]-	227.03150858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe