CID 11217590

N-methyl(benzyloxy)carbohydrazide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

CN(C(=O)OCC1=CC=CC=C1)N

InChI

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

InChIKey

DHBHFHDKOHJROV-UHFFFAOYSA-N

Compound name

benzyl N-amino-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
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	138.5
[M+Na]+	203.07909	144.4
[M-H]-	179.08259	143.0
[M+NH4]+	198.12369	158.1
[M+K]+	219.05303	144.4
[M+H-H2O]+	163.08713	131.6
[M+HCOO]-	225.08807	164.6
[M+CH3COO]-	239.10372	186.6
[M+Na-2H]-	201.06454	144.1
[M]+	180.08932	138.4
[M]-	180.09042	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe