CID 132344229

2137900-93-5

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₄

SMILES

CC(C)(C)OC(=O)NC1CCN2C(=C(C=N2)C(=O)O)C1

InChI

InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-8-4-5-16-10(6-8)9(7-14-16)11(17)18/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)

InChIKey

USNKTGNHTHJVML-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.13754 Da
Monoisotopic Mass: 0.9
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]+	282.144816	164.9
[M+Na]+	304.126758	170.5
[M-H]-	280.130264	165.2
[M+NH4]+	299.171363	180.0
[M+K]+	320.100698	169.1
[M+H-H2O]+	264.134800	158.3
[M+HCOO]-	326.135741	180.4
[M+CH3COO]-	340.151391	198.5
[M+Na-2H]-	302.112206	167.4
[M]+	281.13699142	164.5
[M]-	281.13808858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.