CID 105366747

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

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₂

SMILES

CC1=CC(=C(N=C1)NCCC(=O)OC)Br

InChI

InChI=1S/C10H13BrN2O2/c1-7-5-8(11)10(13-6-7)12-4-3-9(14)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)

InChIKey

MNGGETUOHBKPJD-UHFFFAOYSA-N

Compound name

methyl 3-[(3-bromo-5-methyl-2-pyridinyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.01605 Da
Monoisotopic Mass: 2.6
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]+	273.023326	150.3
[M+Na]+	295.005268	161.1
[M-H]-	271.008774	155.3
[M+NH4]+	290.049873	169.0
[M+K]+	310.979208	150.3
[M+H-H2O]+	255.013310	148.8
[M+HCOO]-	317.014251	171.3
[M+CH3COO]-	331.029901	197.0
[M+Na-2H]-	292.990716	156.7
[M]+	272.01550142	170.9
[M]-	272.01659858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.