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 145.7
[M+Na]+ 280.98962 157.0
[M-H]- 256.99312 150.9
[M+NH4]+ 276.03422 165.0
[M+K]+ 296.96356 146.4
[M+H-H2O]+ 240.99766 144.4
[M+HCOO]- 302.99860 167.0
[M+CH3COO]- 317.01425 194.2
[M+Na-2H]- 278.97507 152.6
[M]+ 257.99985 166.0
[M]- 258.00095 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.