CID 56972293

1065204-79-6

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C9H15N3O2/c1-6-5-7(10)12(11-6)8(13)14-9(2,3)4/h5H,10H2,1-4H3

InChIKey

XMDRIBPTIGVLOD-UHFFFAOYSA-N

Compound name

tert-butyl 5-amino-3-methylpyrazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 197.11642 Da
Monoisotopic Mass: 2.1
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]+	198.12370	144.2
[M+Na]+	220.10564	153.3
[M+NH4]+	215.15024	150.0
[M+K]+	236.07958	152.1
[M-H]-	196.10914	143.0
[M+Na-2H]-	218.09109	147.4
[M]+	197.11587	144.8
[M]-	197.11697	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe