CID 139329428

2217673-44-2

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)NCCC1=CC=NN1

InChI

InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)11-6-4-8-5-7-12-13-8/h5,7H,4,6H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

AGKJIKWXTBMMBO-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(1H-pyrazol-5-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.13208 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]+	212.13936	149.0
[M+Na]+	234.12130	156.8
[M+NH4]+	229.16590	154.4
[M+K]+	250.09524	155.1
[M-H]-	210.12480	147.3
[M+Na-2H]-	232.10675	152.3
[M]+	211.13153	149.2
[M]-	211.13263	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe