CID 10657127

Methyl 6-amino-3-bromopyridine-2-carboxylate

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
COC(=O)C1=C(C=CC(=N1)N)Br
InChI
InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10)
InChIKey
YJUKTIBOUBUOJH-UHFFFAOYSA-N
Compound name
methyl 6-amino-3-bromopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

330
Patents

229.96909 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 137.4
[M+Na]+ 252.95831 149.5
[M-H]- 228.96181 142.5
[M+NH4]+ 248.00291 157.5
[M+K]+ 268.93225 139.0
[M+H-H2O]+ 212.96635 136.5
[M+HCOO]- 274.96729 158.8
[M+CH3COO]- 288.98294 187.9
[M+Na-2H]- 250.94376 144.4
[M]+ 229.96854 156.1
[M]- 229.96964 156.1
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