CID 22271474

365412-92-6

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-6-7(9(14)15)4-5-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)

InChIKey

HOKHELLEMBMVFK-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 238.09535 Da
Monoisotopic Mass: 1.1
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]+	239.10263	152.3
[M+Na]+	261.08457	161.3
[M+NH4]+	256.12917	157.1
[M+K]+	277.05851	158.9
[M-H]-	237.08807	150.9
[M+Na-2H]-	259.07002	156.1
[M]+	238.09480	152.8
[M]-	238.09590	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe