CID 129117203

2097854-25-4

Structural Information

Molecular Formula
C11H13ClN2O4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(N=C1)C(=O)O)Cl
InChI
InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-6-4-7(12)8(9(15)16)13-5-6/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKey
HNASBLATCWNGGM-UHFFFAOYSA-N
Compound name
3-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

272.0564 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06368 156.7
[M+Na]+ 295.04562 165.0
[M-H]- 271.04912 158.4
[M+NH4]+ 290.09022 172.0
[M+K]+ 311.01956 162.3
[M+H-H2O]+ 255.05366 151.4
[M+HCOO]- 317.05460 172.2
[M+CH3COO]- 331.07025 195.2
[M+Na-2H]- 293.03107 160.7
[M]+ 272.05585 160.5
[M]- 272.05695 160.5
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