CID 121252364

Tert-butyl 4-hydroxy-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₂N₂O₃

SMILES

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

InChI

InChI=1S/C8H12N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9-10/h4-5,11H,1-3H3

InChIKey

JONQFHXWXAHHHX-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxypyrazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 184.0848 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]+	185.09208	139.5
[M+Na]+	207.07402	149.0
[M+NH4]+	202.11862	145.2
[M+K]+	223.04796	148.0
[M-H]-	183.07752	137.2
[M+Na-2H]-	205.05947	142.9
[M]+	184.08425	139.9
[M]-	184.08535	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe