CID 84680763

1270362-11-2

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC1=CC(=CN=C1C(C)N)Br
InChI
InChI=1S/C8H11BrN2/c1-5-3-7(9)4-11-8(5)6(2)10/h3-4,6H,10H2,1-2H3
InChIKey
DPNIINIKFQBHRO-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-methylpyridin-2-yl)ethanamine
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]+ 215.01784 138.3
[M+Na]+ 236.99978 149.9
[M-H]- 213.00328 143.2
[M+NH4]+ 232.04438 159.1
[M+K]+ 252.97372 138.7
[M+H-H2O]+ 197.00782 137.6
[M+HCOO]- 259.00876 158.7
[M+CH3COO]- 273.02441 188.4
[M+Na-2H]- 234.98523 144.6
[M]+ 214.01001 155.3
[M]- 214.01111 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.