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: 2755
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	133.4
[M+Na]+	189.06345	139.5
[M-H]-	165.06695	136.6
[M+NH4]+	184.10805	152.9
[M+K]+	205.03739	138.3
[M+H-H2O]+	149.07149	126.9
[M+HCOO]-	211.07243	159.4
[M+CH3COO]-	225.08808	180.1
[M+Na-2H]-	187.04890	140.4
[M]+	166.07368	131.7
[M]-	166.07478	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe