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-bromo-2-pyridinyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

243.98474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 141.5
[M+Na]+ 266.973958 152.3
[M-H]- 242.977464 146.5
[M+NH4]+ 262.018563 161.0
[M+K]+ 282.947898 141.9
[M+H-H2O]+ 226.982000 140.2
[M+HCOO]- 288.982941 163.1
[M+CH3COO]- 302.998591 190.3
[M+Na-2H]- 264.959406 149.6
[M]+ 243.98419142 161.0
[M]- 243.98528858 161.0
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

patents stripe