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-methyl-2-pyridinyl)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]+ 259.007676 145.7
[M+Na]+ 280.989618 157.0
[M-H]- 256.993124 150.9
[M+NH4]+ 276.034223 165.0
[M+K]+ 296.963558 146.4
[M+H-H2O]+ 240.997660 144.4
[M+HCOO]- 302.998601 167.0
[M+CH3COO]- 317.014251 194.2
[M+Na-2H]- 278.975066 152.6
[M]+ 257.99985142 166.0
[M]- 258.00094858 166.0
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.