CID 18978086

148088-78-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CNCCN(C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H18N2O2/c1-13-8-9-14(2)12(15)16-10-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3

InChIKey

QTLVLLWKMZINAR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 222.13683 Da
Monoisotopic Mass: 1.7
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]+	223.14411	152.1
[M+Na]+	245.12605	161.9
[M+NH4]+	240.17065	159.5
[M+K]+	261.09999	156.1
[M-H]-	221.12955	154.7
[M+Na-2H]-	243.11150	158.2
[M]+	222.13628	154.0
[M]-	222.13738	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe