CID 131143739

1936300-67-2

Structural Information

Molecular Formula
C11H13BrN2O4
SMILES
CC(C)(C)OC(=O)NC1=C(N=C(C=C1)C(=O)O)Br
InChI
InChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(17)14-6-4-5-7(9(15)16)13-8(6)12/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKey
NPAQVOONUQWAAH-UHFFFAOYSA-N
Compound name
6-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.00586 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.013136 160.0
[M+Na]+ 338.995078 170.0
[M-H]- 314.998584 163.9
[M+NH4]+ 334.039683 176.1
[M+K]+ 354.969018 159.6
[M+H-H2O]+ 299.003120 158.7
[M+HCOO]- 361.004061 177.3
[M+CH3COO]- 375.019711 200.7
[M+Na-2H]- 336.980526 165.1
[M]+ 316.00531142 179.8
[M]- 316.00640858 179.8
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

No patent data available for this compound.