CID 13103191

88384-34-3

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂O₂

SMILES

CN(C)CCC(C1=CC=C(C=C1)Br)OC(=O)N

InChI

InChI=1S/C12H17BrN2O2/c1-15(2)8-7-11(17-12(14)16)9-3-5-10(13)6-4-9/h3-6,11H,7-8H2,1-2H3,(H2,14,16)

InChIKey

MLTRMGWFJUDPMV-UHFFFAOYSA-N

Compound name

[1-(4-bromophenyl)-3-(dimethylamino)propyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.04733 Da
Monoisotopic Mass: 2.2
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]+	301.054606	162.5
[M+Na]+	323.036548	170.5
[M-H]-	299.040054	168.9
[M+NH4]+	318.081153	180.8
[M+K]+	339.010488	160.5
[M+H-H2O]+	283.044590	160.0
[M+HCOO]-	345.045531	183.7
[M+CH3COO]-	359.061181	207.2
[M+Na-2H]-	321.021996	165.4
[M]+	300.04678142	181.5
[M]-	300.04787858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.