CID 57937381

Tert-butyl 1h-pyrazol-3-ylcarbamate

Structural Information

Molecular Formula

C₈H₁₃N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=NN1

InChI

InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-6-4-5-9-11-6/h4-5H,1-3H3,(H2,9,10,11,12)

InChIKey

RZIAELOQCATLDL-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-pyrazol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 183.10077 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]+	184.10805	141.2
[M+Na]+	206.08999	148.2
[M-H]-	182.09349	141.1
[M+NH4]+	201.13459	159.3
[M+K]+	222.06393	147.0
[M+H-H2O]+	166.09803	134.4
[M+HCOO]-	228.09897	161.9
[M+CH3COO]-	242.11462	178.3
[M+Na-2H]-	204.07544	147.0
[M]+	183.10022	140.6
[M]-	183.10132	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe