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: 4
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]+	212.139356	150.3
[M+Na]+	234.121298	156.4
[M-H]-	210.124804	149.8
[M+NH4]+	229.165903	167.3
[M+K]+	250.095238	154.7
[M+H-H2O]+	194.129340	143.1
[M+HCOO]-	256.130281	170.3
[M+CH3COO]-	270.145931	184.3
[M+Na-2H]-	232.106746	155.0
[M]+	211.13153142	150.4
[M]-	211.13262858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe