CID 3300601

99862-34-7

Structural Information

Molecular Formula

C₁₁H₁₇BrN₂

SMILES

CN(C)CCNCC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H17BrN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3

InChIKey

LZFYBEIKDOCTHC-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)methyl]-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 256.0575 Da
Monoisotopic Mass: 2.0
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]+	257.06478	151.7
[M+Na]+	279.04672	160.6
[M-H]-	255.05022	158.7
[M+NH4]+	274.09132	172.3
[M+K]+	295.02066	149.8
[M+H-H2O]+	239.05476	149.8
[M+HCOO]-	301.05570	175.2
[M+CH3COO]-	315.07135	201.0
[M+Na-2H]-	277.03217	158.6
[M]+	256.05695	170.7
[M]-	256.05805	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe