CID 4961870

183251-89-0

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

CN(C)C1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C8H11BrN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3

InChIKey

WUJVGHMWTQMHOQ-UHFFFAOYSA-N

Compound name

4-bromo-1-N,1-N-dimethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.01056 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]+	215.01784	137.5
[M+Na]+	236.99978	140.4
[M+NH4]+	232.04438	143.1
[M+K]+	252.97372	140.5
[M-H]-	213.00328	139.8
[M+Na-2H]-	234.98523	141.8
[M]+	214.01001	137.4
[M]-	214.01111	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe