CID 70366

949-90-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)N

InChI

InChI=1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)

InChIKey

HQYMUNCIMNFLDT-UHFFFAOYSA-N

Compound name

benzyl N-(2-amino-2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 250
Patents: 208.0848 Da
Monoisotopic Mass: 0.4
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]+	209.092076	144.9
[M+Na]+	231.074018	150.1
[M-H]-	207.077524	147.7
[M+NH4]+	226.118623	162.4
[M+K]+	247.047958	148.9
[M+H-H2O]+	191.082060	137.8
[M+HCOO]-	253.083001	169.6
[M+CH3COO]-	267.098651	188.4
[M+Na-2H]-	229.059466	149.5
[M]+	208.08425142	144.0
[M]-	208.08534858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe