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]+ 317.01314 160.0
[M+Na]+ 338.99508 170.0
[M-H]- 314.99858 163.9
[M+NH4]+ 334.03968 176.1
[M+K]+ 354.96902 159.6
[M+H-H2O]+ 299.00312 158.7
[M+HCOO]- 361.00406 177.3
[M+CH3COO]- 375.01971 200.7
[M+Na-2H]- 336.98053 165.1
[M]+ 316.00531 179.8
[M]- 316.00641 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.