CID 71758124

Tert-butyl n-(1h-1,2,3-triazol-4-yl)carbamate

Structural Information

Molecular Formula

C₇H₁₂N₄O₂

SMILES

CC(C)(C)OC(=O)NC1=NNN=C1

InChI

InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)9-5-4-8-11-10-5/h4H,1-3H3,(H2,8,9,10,11,12)

InChIKey

UUUQDHUJWVLANT-UHFFFAOYSA-N

Compound name

tert-butyl N-(2H-triazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.09602 Da
Monoisotopic Mass: 0.5
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]+	185.10330	139.5
[M+Na]+	207.08524	147.7
[M+NH4]+	202.12984	144.5
[M+K]+	223.05918	147.0
[M-H]-	183.08874	137.0
[M+Na-2H]-	205.07069	143.1
[M]+	184.09547	139.4
[M]-	184.09657	139.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.