CID 105366679

Methyl 2-[(3-bromo-5-methylpyridin-2-yl)amino]acetate

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CC1=CC(=C(N=C1)NCC(=O)OC)Br
InChI
InChI=1S/C9H11BrN2O2/c1-6-3-7(10)9(11-4-6)12-5-8(13)14-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
XJKGMLMAGMUKCU-UHFFFAOYSA-N
Compound name
methyl 2-[(3-bromo-5-methylpyridin-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 147.8
[M+Na]+ 280.98962 150.3
[M+NH4]+ 276.03422 151.4
[M+K]+ 296.96356 150.9
[M-H]- 256.99312 147.6
[M+Na-2H]- 278.97507 150.5
[M]+ 257.99985 146.7
[M]- 258.00095 146.7
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.