CID 14135

N-(2,4-dinitrophenyl)glycine

Structural Information

Molecular Formula

C₈H₇N₃O₆

SMILES

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

InChI

InChI=1S/C8H7N3O6/c12-8(13)4-9-6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3,9H,4H2,(H,12,13)

InChIKey

RQPREKYEHBAOAR-UHFFFAOYSA-N

Compound name

2-(2,4-dinitroanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 298
Patents: 241.03348 Da
Monoisotopic Mass: 1.8
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]+	242.04076	154.1
[M+Na]+	264.02270	160.4
[M+NH4]+	259.06730	162.9
[M+K]+	279.99664	170.1
[M-H]-	240.02620	149.7
[M+Na-2H]-	262.00815	153.0
[M]+	241.03293	155.9
[M]-	241.03403	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe