CID 23766

7342-58-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC(C1=CC=CC=C1)NNC(=O)OC

InChI

InChI=1S/C10H14N2O2/c1-8(11-12-10(13)14-2)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)

InChIKey

WLBSHPROCRLSPW-UHFFFAOYSA-N

Compound name

methyl N-(1-phenylethylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	195.11281	143.6
[M+Na]+	217.09475	153.2
[M+NH4]+	212.13935	150.9
[M+K]+	233.06869	148.2
[M-H]-	193.09825	145.7
[M+Na-2H]-	215.08020	149.6
[M]+	194.10498	145.2
[M]-	194.10608	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe