CID 13279869

N-cbz-n-methyl-2-aminoethanol

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CN(CCO)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO3/c1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3

InChIKey

GMIQMQBHYROSKY-UHFFFAOYSA-N

Compound name

benzyl N-(2-hydroxyethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 284
Patents: 209.1052 Da
Monoisotopic Mass: 1.5
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]+	210.11248	146.7
[M+Na]+	232.09442	152.2
[M-H]-	208.09792	150.1
[M+NH4]+	227.13902	165.1
[M+K]+	248.06836	151.7
[M+H-H2O]+	192.10246	140.0
[M+HCOO]-	254.10340	170.6
[M+CH3COO]-	268.11905	187.8
[M+Na-2H]-	230.07987	151.6
[M]+	209.10465	148.8
[M]-	209.10575	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe