CID 37868

Ethyl 3-benzylcarbazate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)NNCC1=CC=CC=C1

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)12-11-8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,12,13)

InChIKey

FDYVKBXZTOEALF-UHFFFAOYSA-N

Compound name

ethyl N-(benzylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.10553 Da
Monoisotopic Mass: 1.6
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]+	195.11281	143.3
[M+Na]+	217.09475	153.3
[M+NH4]+	212.13935	150.8
[M+K]+	233.06869	147.5
[M-H]-	193.09825	145.6
[M+Na-2H]-	215.08020	149.7
[M]+	194.10498	145.1
[M]-	194.10608	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe