CID 10822258

277328-34-4

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CNCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H16N2O2/c1-12-7-8-13-11(14)15-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,13,14)

InChIKey

MJBYFHHGDZWPJP-UHFFFAOYSA-N

Compound name

benzyl N-[2-(methylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 208.12119 Da
Monoisotopic Mass: 1.0
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]+	209.128466	146.7
[M+Na]+	231.110408	151.6
[M-H]-	207.113914	149.9
[M+NH4]+	226.155013	164.8
[M+K]+	247.084348	150.0
[M+H-H2O]+	191.118450	139.6
[M+HCOO]-	253.119391	172.4
[M+CH3COO]-	267.135041	189.9
[M+Na-2H]-	229.095856	153.2
[M]+	208.12064142	147.2
[M]-	208.12173858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe