CID 22139049

Methyl 2-[(5-bromopyridin-2-yl)amino]acetate

Structural Information

Molecular Formula

C₈H₉BrN₂O₂

SMILES

COC(=O)CNC1=NC=C(C=C1)Br

InChI

InChI=1S/C8H9BrN2O2/c1-13-8(12)5-11-7-3-2-6(9)4-10-7/h2-4H,5H2,1H3,(H,10,11)

InChIKey

YEUURHOSIOKYFP-UHFFFAOYSA-N

Compound name

methyl 2-[(5-bromopyridin-2-yl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 243.98474 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.99202	143.7
[M+Na]+	266.97396	146.0
[M+NH4]+	262.01856	147.4
[M+K]+	282.94790	146.7
[M-H]-	242.97746	143.5
[M+Na-2H]-	264.95941	146.9
[M]+	243.98419	142.6
[M]-	243.98529	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe