CID 138039827

Methyl 4-[(3-bromo-5-methylpyridin-2-yl)amino]butanoate

Structural Information

Molecular Formula
C11H15BrN2O2
SMILES
CC1=CC(=C(N=C1)NCCCC(=O)OC)Br
InChI
InChI=1S/C11H15BrN2O2/c1-8-6-9(12)11(14-7-8)13-5-3-4-10(15)16-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKey
CSPAXCUZZXKAFZ-UHFFFAOYSA-N
Compound name
methyl 4-[(3-bromo-5-methylpyridin-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.03168 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03896 154.9
[M+Na]+ 309.02090 165.3
[M-H]- 285.02440 159.7
[M+NH4]+ 304.06550 173.1
[M+K]+ 324.99484 154.2
[M+H-H2O]+ 269.02894 153.1
[M+HCOO]- 331.02988 175.6
[M+CH3COO]- 345.04553 199.8
[M+Na-2H]- 307.00635 160.8
[M]+ 286.03113 175.8
[M]- 286.03223 175.8
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.