CID 50199

N-nitroso-n-methylphenylcarbamate

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

CN(C(=O)OC1=CC=CC=C1)N=O

InChI

InChI=1S/C8H8N2O3/c1-10(9-12)8(11)13-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

LTJREOVCWCRZIZ-UHFFFAOYSA-N

Compound name

phenyl N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 180.0535 Da
Monoisotopic Mass: 1.3
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]+	181.060776	134.3
[M+Na]+	203.042718	141.2
[M-H]-	179.046224	140.9
[M+NH4]+	198.087323	154.7
[M+K]+	219.016658	142.7
[M+H-H2O]+	163.050760	127.2
[M+HCOO]-	225.051701	163.4
[M+CH3COO]-	239.067351	188.0
[M+Na-2H]-	201.028166	142.2
[M]+	180.05295142	137.6
[M]-	180.05404858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe