CID 3043614

Dtxsid70971273

Structural Information

Molecular Formula

C₁₁H₁₇BrN₂

SMILES

CC(CC1=CC(=C(C=C1)N(C)C)Br)N

InChI

InChI=1S/C11H17BrN2/c1-8(13)6-9-4-5-11(14(2)3)10(12)7-9/h4-5,7-8H,6,13H2,1-3H3

InChIKey

LIIZKMKTZVALJX-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)-2-bromo-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 256.0575 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]+	257.064776	153.1
[M+Na]+	279.046718	162.6
[M-H]-	255.050224	160.0
[M+NH4]+	274.091323	173.6
[M+K]+	295.020658	151.8
[M+H-H2O]+	239.054760	151.4
[M+HCOO]-	301.055701	174.9
[M+CH3COO]-	315.071351	202.3
[M+Na-2H]-	277.032166	157.0
[M]+	256.05695142	170.8
[M]-	256.05804858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.