CID 29558471

5-bromo-n-[3-(dimethylamino)propyl]pyridin-2-amine

Structural Information

Molecular Formula

C₁₀H₁₆BrN₃

SMILES

CN(C)CCCNC1=NC=C(C=C1)Br

InChI

InChI=1S/C10H16BrN3/c1-14(2)7-3-6-12-10-5-4-9(11)8-13-10/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)

InChIKey

BVVHJAFIYIQILS-UHFFFAOYSA-N

Compound name

N-(5-bromo-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 257.05276 Da
Monoisotopic Mass: 2.3
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]+	258.060036	149.6
[M+Na]+	280.041978	158.9
[M-H]-	256.045484	155.4
[M+NH4]+	275.086583	169.0
[M+K]+	296.015918	148.2
[M+H-H2O]+	240.050020	147.2
[M+HCOO]-	302.050961	172.3
[M+CH3COO]-	316.066611	200.6
[M+Na-2H]-	278.027426	157.3
[M]+	257.05221142	168.9
[M]-	257.05330858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe