CID 103854077

1694621-06-1

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC(C1=CNN=C1)NC(=O)OC(C)(C)C

InChI

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

InChIKey

PAGQXFSRGPLPCD-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(1H-pyrazol-4-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.13208 Da
Monoisotopic Mass: 1.1
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]+	212.139356	150.4
[M+Na]+	234.121298	156.2
[M-H]-	210.124804	150.0
[M+NH4]+	229.165903	167.3
[M+K]+	250.095238	155.1
[M+H-H2O]+	194.129340	143.4
[M+HCOO]-	256.130281	169.4
[M+CH3COO]-	270.145931	185.2
[M+Na-2H]-	232.106746	154.0
[M]+	211.13153142	149.8
[M]-	211.13262858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe