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

6
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 149.6
[M+Na]+ 280.04198 158.9
[M-H]- 256.04548 155.4
[M+NH4]+ 275.08658 169.0
[M+K]+ 296.01592 148.2
[M+H-H2O]+ 240.05002 147.2
[M+HCOO]- 302.05096 172.3
[M+CH3COO]- 316.06661 200.6
[M+Na-2H]- 278.02743 157.3
[M]+ 257.05221 168.9
[M]- 257.05331 168.9
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