CID 70082235

1082503-32-9

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N(C)C(CN)C1=CC=CC=C1

InChI

InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16(4)12(10-15)11-8-6-5-7-9-11/h5-9,12H,10,15H2,1-4H3

InChIKey

JSXCPTWNVQDNND-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-1-phenylethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 250.16812 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]+	251.175396	161.3
[M+Na]+	273.157338	165.3
[M-H]-	249.160844	165.3
[M+NH4]+	268.201943	178.2
[M+K]+	289.131278	165.2
[M+H-H2O]+	233.165380	154.4
[M+HCOO]-	295.166321	183.3
[M+CH3COO]-	309.181971	202.3
[M+Na-2H]-	271.142786	163.9
[M]+	250.16757142	161.9
[M]-	250.16866858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe