CID 165880153

2839157-04-7

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₄

SMILES

CC(C)(C)OC(=O)NC1CC(C1)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-9-4-10(5-9)16-7-8(6-14-16)11(17)18/h6-7,9-10H,4-5H2,1-3H3,(H,15,19)(H,17,18)

InChIKey

TUYCDUGARICYJE-UHFFFAOYSA-N

Compound name

1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.13754 Da
Monoisotopic Mass: 1.0
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	167.2
[M+Na]+	304.126758	170.6
[M-H]-	280.130264	169.8
[M+NH4]+	299.171363	174.5
[M+K]+	320.100698	172.8
[M+H-H2O]+	264.134800	154.1
[M+HCOO]-	326.135741	183.5
[M+CH3COO]-	340.151391	201.2
[M+Na-2H]-	302.112206	167.2
[M]+	281.13699142	176.0
[M]-	281.13808858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.