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]+	181.097146	137.6
[M+Na]+	203.079088	143.3
[M-H]-	179.082594	141.1
[M+NH4]+	198.123693	156.8
[M+K]+	219.053028	142.2
[M+H-H2O]+	163.087130	130.9
[M+HCOO]-	225.088071	163.9
[M+CH3COO]-	239.103721	183.8
[M+Na-2H]-	201.064536	145.1
[M]+	180.08932142	137.3
[M]-	180.09041858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe