CID 16227877

2-(5-amino-3-tert-butyl-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

CC(C)(C)C1=NN(C(=C1)N)CCO

InChI

InChI=1S/C9H17N3O/c1-9(2,3)7-6-8(10)12(11-7)4-5-13/h6,13H,4-5,10H2,1-3H3

InChIKey

WDTAULDXZVYRKM-UHFFFAOYSA-N

Compound name

2-(5-amino-3-tert-butylpyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 183.13716 Da
Monoisotopic Mass: 0.8
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]+	184.14444	141.9
[M+Na]+	206.12638	151.2
[M+NH4]+	201.17098	148.3
[M+K]+	222.10032	149.1
[M-H]-	182.12988	141.1
[M+Na-2H]-	204.11183	145.5
[M]+	183.13661	142.7
[M]-	183.13771	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe