CID 218605

2-hydroxy-3-methyl-5-nitrobenzamide

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

CC1=CC(=CC(=C1O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4/c1-4-2-5(10(13)14)3-6(7(4)11)8(9)12/h2-3,11H,1H3,(H2,9,12)

InChIKey

IQLMHRQMDCJEPG-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methyl-5-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.0484 Da
Monoisotopic Mass: 1.9
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]+	197.05568	137.6
[M+Na]+	219.03762	149.0
[M+NH4]+	214.08222	144.1
[M+K]+	235.01156	148.0
[M-H]-	195.04112	139.6
[M+Na-2H]-	217.02307	141.9
[M]+	196.04785	139.3
[M]-	196.04895	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe