CID 61285781

Tert-butyl 2-(4-amino-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)6-12-5-7(10)4-11-12/h4-5H,6,10H2,1-3H3

InChIKey

FCEYZRUTRMWATR-UHFFFAOYSA-N

Compound name

tert-butyl 2-(4-aminopyrazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 197.11642 Da
Monoisotopic Mass: 0.6
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]+	198.12370	145.0
[M+Na]+	220.10564	152.8
[M-H]-	196.10914	145.9
[M+NH4]+	215.15024	163.2
[M+K]+	236.07958	151.9
[M+H-H2O]+	180.11368	138.1
[M+HCOO]-	242.11462	166.2
[M+CH3COO]-	256.13027	185.1
[M+Na-2H]-	218.09109	149.0
[M]+	197.11587	146.1
[M]-	197.11697	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe