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-bromopyridin-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

243.98474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 141.5
[M+Na]+ 266.97396 152.3
[M-H]- 242.97746 146.5
[M+NH4]+ 262.01856 161.0
[M+K]+ 282.94790 141.9
[M+H-H2O]+ 226.98200 140.2
[M+HCOO]- 288.98294 163.1
[M+CH3COO]- 302.99859 190.3
[M+Na-2H]- 264.95941 149.6
[M]+ 243.98419 161.0
[M]- 243.98529 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