CID 63301358

5-bromo-n-methyl-n-(pyrrolidin-3-yl)pyridin-2-amine trihydrochloride

Structural Information

Molecular Formula
C10H14BrN3
SMILES
CN(C1CCNC1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C10H14BrN3/c1-14(9-4-5-12-7-9)10-3-2-8(11)6-13-10/h2-3,6,9,12H,4-5,7H2,1H3
InChIKey
KQGYYQZNQRSHSC-UHFFFAOYSA-N
Compound name
5-bromo-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03711 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.044386 150.5
[M+Na]+ 278.026328 159.7
[M-H]- 254.029834 156.8
[M+NH4]+ 273.070933 169.7
[M+K]+ 294.000268 148.9
[M+H-H2O]+ 238.034370 148.5
[M+HCOO]- 300.035311 169.3
[M+CH3COO]- 314.050961 192.6
[M+Na-2H]- 276.011776 155.6
[M]+ 255.03656142 165.1
[M]- 255.03765858 165.1
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

No patent data available for this compound.