CID 15786007

880-21-7

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CNNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C9H12N2O2/c1-10-11-9(12)13-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,11,12)

InChIKey

PRIYUSMWEKKHHT-UHFFFAOYSA-N

Compound name

benzyl N-(methylamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 180.08987 Da
Monoisotopic Mass: 1.4
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]+	181.09715	138.8
[M+Na]+	203.07909	149.0
[M+NH4]+	198.12369	146.5
[M+K]+	219.05303	143.4
[M-H]-	179.08259	141.2
[M+Na-2H]-	201.06454	145.5
[M]+	180.08932	140.6
[M]-	180.09042	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe