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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.063676	156.7
[M+Na]+	295.045618	165.0
[M-H]-	271.049124	158.4
[M+NH4]+	290.090223	172.0
[M+K]+	311.019558	162.3
[M+H-H2O]+	255.053660	151.4
[M+HCOO]-	317.054601	172.2
[M+CH3COO]-	331.070251	195.2
[M+Na-2H]-	293.031066	160.7
[M]+	272.05585142	160.5
[M]-	272.05694858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe