CID 10060751

121505-94-0

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄

SMILES

CN(C(=O)CNC(=O)OCC1=CC=CC=C1)OC

InChI

InChI=1S/C12H16N2O4/c1-14(17-2)11(15)8-13-12(16)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,16)

InChIKey

NWYPLKICSHBTAJ-UHFFFAOYSA-N

Compound name

benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 252.11101 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]+	253.118286	156.7
[M+Na]+	275.100228	161.2
[M-H]-	251.103734	161.3
[M+NH4]+	270.144833	173.4
[M+K]+	291.074168	161.9
[M+H-H2O]+	235.108270	149.0
[M+HCOO]-	297.109211	182.2
[M+CH3COO]-	311.124861	199.9
[M+Na-2H]-	273.085676	160.7
[M]+	252.11046142	160.3
[M]-	252.11155858	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe