CID 53404633

1334405-60-5

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CCOC(=O)C1=C(C=C(C=N1)Br)N
InChI
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)7-6(10)3-5(9)4-11-7/h3-4H,2,10H2,1H3
InChIKey
LHYHSJGGTDIORJ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-bromopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

243.98474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.992016 142.1
[M+Na]+ 266.973958 153.7
[M-H]- 242.977464 147.0
[M+NH4]+ 262.018563 161.6
[M+K]+ 282.947898 143.0
[M+H-H2O]+ 226.982000 140.9
[M+HCOO]- 288.982941 163.1
[M+CH3COO]- 302.998591 190.8
[M+Na-2H]- 264.959406 148.5
[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