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

38
Patents

243.98474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 142.1
[M+Na]+ 266.97396 153.7
[M-H]- 242.97746 147.0
[M+NH4]+ 262.01856 161.6
[M+K]+ 282.94790 143.0
[M+H-H2O]+ 226.98200 140.9
[M+HCOO]- 288.98294 163.1
[M+CH3COO]- 302.99859 190.8
[M+Na-2H]- 264.95941 148.5
[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