CID 62005101

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

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CN(CC(=O)OC)C1=NC=C(C=C1)Br
InChI
InChI=1S/C9H11BrN2O2/c1-12(6-9(13)14-2)8-4-3-7(10)5-11-8/h3-5H,6H2,1-2H3
InChIKey
JMIRMVNRITVCMZ-UHFFFAOYSA-N
Compound name
methyl 2-[(5-bromopyridin-2-yl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 145.8
[M+Na]+ 280.98962 156.4
[M-H]- 256.99312 152.1
[M+NH4]+ 276.03422 165.4
[M+K]+ 296.96356 147.1
[M+H-H2O]+ 240.99766 144.2
[M+HCOO]- 302.99860 167.6
[M+CH3COO]- 317.01425 196.3
[M+Na-2H]- 278.97507 152.7
[M]+ 257.99985 166.9
[M]- 258.00095 166.9
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.