CID 79242

Benzyl carbazate

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)COC(=O)NN

InChI

InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)

InChIKey

RXUBZLMIGSAPEJ-UHFFFAOYSA-N

Compound name

benzyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2650
Patents: 166.07423 Da
Monoisotopic Mass: 0.9
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]+	167.08151	134.4
[M+Na]+	189.06345	144.4
[M+NH4]+	184.10805	142.0
[M+K]+	205.03739	139.3
[M-H]-	165.06695	136.6
[M+Na-2H]-	187.04890	140.8
[M]+	166.07368	136.1
[M]-	166.07478	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe