CID 23840

2-nitrophenyl n-methylcarbamate

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

CNC(=O)OC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4/c1-9-8(11)14-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey

WROWUHCAAFNMJL-UHFFFAOYSA-N

Compound name

(2-nitrophenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1427
Patents: 196.0484 Da
Monoisotopic Mass: 1.0
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]+	197.055676	137.1
[M+Na]+	219.037618	143.7
[M-H]-	195.041124	141.1
[M+NH4]+	214.082223	155.3
[M+K]+	235.011558	139.2
[M+H-H2O]+	179.045660	135.4
[M+HCOO]-	241.046601	163.8
[M+CH3COO]-	255.062251	177.9
[M+Na-2H]-	217.023066	145.2
[M]+	196.04785142	136.4
[M]-	196.04894858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe