CID 105366747

1289049-65-5

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-methylpyridin-2-yl)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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02333 152.3
[M+Na]+ 295.00527 154.6
[M+NH4]+ 290.04987 155.8
[M+K]+ 310.97921 155.0
[M-H]- 271.00877 152.1
[M+Na-2H]- 292.99072 154.8
[M]+ 272.01550 151.2
[M]- 272.01660 151.2
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.