CID 84783694

2-(3-bromopyridin-4-yl)propan-1-amine

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC(CN)C1=C(C=NC=C1)Br
InChI
InChI=1S/C8H11BrN2/c1-6(4-10)7-2-3-11-5-8(7)9/h2-3,5-6H,4,10H2,1H3
InChIKey
JRGPGXISOWSTIU-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-pyridinyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.01056 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 138.6
[M+Na]+ 236.999778 149.3
[M-H]- 213.003284 143.2
[M+NH4]+ 232.044383 159.2
[M+K]+ 252.973718 138.2
[M+H-H2O]+ 197.007820 137.7
[M+HCOO]- 259.008761 159.1
[M+CH3COO]- 273.024411 187.3
[M+Na-2H]- 234.985226 145.7
[M]+ 214.01001142 155.3
[M]- 214.01110858 155.3
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.