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-bromopyridin-2-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.05276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06004 151.1
[M+Na]+ 280.04198 153.2
[M+NH4]+ 275.08658 155.7
[M+K]+ 296.01592 152.7
[M-H]- 256.04548 152.6
[M+Na-2H]- 278.02743 154.9
[M]+ 257.05221 150.5
[M]- 257.05331 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe