CID 92546

56843-30-2

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄

SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])OC)NC(=O)C

InChI

InChI=1S/C10H12N2O4/c1-6-4-8(11-7(2)13)10(16-3)5-9(6)12(14)15/h4-5H,1-3H3,(H,11,13)

InChIKey

ACLVOBFSJRPZQD-UHFFFAOYSA-N

Compound name

N-(2-methoxy-5-methyl-4-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 224.07971 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]+	225.08699	146.5
[M+Na]+	247.06893	158.4
[M+NH4]+	242.11353	153.2
[M+K]+	263.04287	156.4
[M-H]-	223.07243	149.2
[M+Na-2H]-	245.05438	151.3
[M]+	224.07916	148.6
[M]-	224.08026	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe