CID 4962021

3524-18-3

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC(C)CN1C(=CC=N1)N

InChI

InChI=1S/C7H13N3/c1-6(2)5-10-7(8)3-4-9-10/h3-4,6H,5,8H2,1-2H3

InChIKey

AGAFAORHXSFBGK-UHFFFAOYSA-N

Compound name

2-(2-methylpropyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 139.11095 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]+	140.118226	130.2
[M+Na]+	162.100168	138.3
[M-H]-	138.103674	131.0
[M+NH4]+	157.144773	150.7
[M+K]+	178.074108	137.0
[M+H-H2O]+	122.108210	123.2
[M+HCOO]-	184.109151	153.0
[M+CH3COO]-	198.124801	176.9
[M+Na-2H]-	160.085616	134.5
[M]+	139.11040142	129.1
[M]-	139.11149858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe