CID 737200

141459-53-2

Structural Information

Molecular Formula

C₈H₁₅N₃

SMILES

CC1=NN(C(=C1)N)C(C)(C)C

InChI

InChI=1S/C8H15N3/c1-6-5-7(9)11(10-6)8(2,3)4/h5H,9H2,1-4H3

InChIKey

CMPRMWFPGYBHTQ-UHFFFAOYSA-N

Compound name

2-tert-butyl-5-methylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 162
Patents: 153.1266 Da
Monoisotopic Mass: 1.2
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]+	154.13388	135.1
[M+Na]+	176.11582	144.4
[M-H]-	152.11932	136.4
[M+NH4]+	171.16042	155.7
[M+K]+	192.08976	142.9
[M+H-H2O]+	136.12386	128.9
[M+HCOO]-	198.12480	156.9
[M+CH3COO]-	212.14045	179.9
[M+Na-2H]-	174.10127	140.0
[M]+	153.12605	134.8
[M]-	153.12715	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe