CID 81656

4-nitrophenyl dimethylcarbamate

Structural Information

Molecular Formula

C₉H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C9H10N2O4/c1-10(2)9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,1-2H3

InChIKey

YBRIFDNEMBTBMJ-UHFFFAOYSA-N

Compound name

(4-nitrophenyl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 17
Patents: 210.06406 Da
Monoisotopic Mass: 1.5
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]+	211.07134	141.8
[M+Na]+	233.05328	153.4
[M+NH4]+	228.09788	149.0
[M+K]+	249.02722	151.8
[M-H]-	209.05678	144.8
[M+Na-2H]-	231.03873	147.7
[M]+	210.06351	144.0
[M]-	210.06461	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe