CID 73553294

1379312-86-3

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CCOC(=O)CC1=C(C=C(C=N1)Br)N
InChI
InChI=1S/C9H11BrN2O2/c1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h3,5H,2,4,11H2,1H3
InChIKey
DZOWBXRYWIYOBG-UHFFFAOYSA-N
Compound name
ethyl 2-(3-amino-5-bromo-2-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

258.0004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.007676 146.7
[M+Na]+ 280.989618 157.9
[M-H]- 256.993124 151.4
[M+NH4]+ 276.034223 165.6
[M+K]+ 296.963558 146.9
[M+H-H2O]+ 240.997660 145.3
[M+HCOO]- 302.998601 167.4
[M+CH3COO]- 317.014251 193.6
[M+Na-2H]- 278.975066 152.5
[M]+ 257.99985142 165.9
[M]- 258.00094858 165.9
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

patents stripe