CID 70091

Tert-butyl carbazate

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CC(C)(C)OC(=O)NN

InChI

InChI=1S/C5H12N2O2/c1-5(2,3)9-4(8)7-6/h6H2,1-3H3,(H,7,8)

InChIKey

DKACXUFSLUYRFU-UHFFFAOYSA-N

Compound name

tert-butyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 16747
Patents: 132.08987 Da
Monoisotopic Mass: 0.2
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]+	133.09715	128.0
[M+Na]+	155.07909	134.6
[M-H]-	131.08259	128.3
[M+NH4]+	150.12369	149.4
[M+K]+	171.05303	135.4
[M+H-H2O]+	115.08713	123.4
[M+HCOO]-	177.08807	151.7
[M+CH3COO]-	191.10372	175.3
[M+Na-2H]-	153.06454	134.3
[M]+	132.08932	127.0
[M]-	132.09042	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe