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]+ 256.04439 150.5
[M+Na]+ 278.02633 159.7
[M-H]- 254.02983 156.8
[M+NH4]+ 273.07093 169.7
[M+K]+ 294.00027 148.9
[M+H-H2O]+ 238.03437 148.5
[M+HCOO]- 300.03531 169.3
[M+CH3COO]- 314.05096 192.6
[M+Na-2H]- 276.01178 155.6
[M]+ 255.03656 165.1
[M]- 255.03766 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.