CID 129957757

1211580-31-2

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC1=CC(=C(N=C1)C(C)N)Br
InChI
InChI=1S/C8H11BrN2/c1-5-3-7(9)8(6(2)10)11-4-5/h3-4,6H,10H2,1-2H3
InChIKey
BTCQDDUFDOHGSN-UHFFFAOYSA-N
Compound name
1-(3-bromo-5-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 138.1
[M+Na]+ 236.99978 141.4
[M+NH4]+ 232.04438 143.0
[M+K]+ 252.97372 141.6
[M-H]- 213.00328 139.0
[M+Na-2H]- 234.98523 141.7
[M]+ 214.01001 137.6
[M]- 214.01111 137.6
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.