CID 522787

3-amino-5-tert-butylpyrazole

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C)(C)C1=CC(=NN1)N

InChI

InChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)

InChIKey

ZHBXGHWSVIBUCQ-UHFFFAOYSA-N

Compound name

5-tert-butyl-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 998
Patents: 139.11095 Da
Monoisotopic Mass: 1.6
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]+	140.118226	131.5
[M+Na]+	162.100168	139.9
[M-H]-	138.103674	131.2
[M+NH4]+	157.144773	151.6
[M+K]+	178.074108	137.7
[M+H-H2O]+	122.108210	125.4
[M+HCOO]-	184.109151	152.1
[M+CH3COO]-	198.124801	173.0
[M+Na-2H]-	160.085616	137.1
[M]+	139.11040142	128.5
[M]-	139.11149858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe