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: 4
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]+	195.112806	142.2
[M+Na]+	217.094748	147.4
[M-H]-	193.098254	145.5
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	146.1
[M+H-H2O]+	177.102790	135.2
[M+HCOO]-	239.103731	168.1
[M+CH3COO]-	253.119381	186.8
[M+Na-2H]-	215.080196	149.2
[M]+	194.10498142	142.2
[M]-	194.10607858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe