CID 17854509

288083-62-5

Structural Information

Molecular Formula

C₉H₁₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1C=C(C=N1)C(=O)O

InChI

InChI=1S/C9H12N2O4/c1-9(2,3)15-8(14)11-5-6(4-10-11)7(12)13/h4-5H,1-3H3,(H,12,13)

InChIKey

MBOVQMUHVMCMPG-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 212.07971 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]+	213.08699	145.6
[M+Na]+	235.06893	154.0
[M+NH4]+	230.11353	150.1
[M+K]+	251.04287	154.2
[M-H]-	211.07243	142.2
[M+Na-2H]-	233.05438	147.9
[M]+	212.07916	145.3
[M]-	212.08026	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe