CID 135409350

Trimidox

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

C1=C(C=C(C(=C1O)O)O)/C(=N/O)/N

InChI

InChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9)

InChIKey

MSLJYSGFUMYUDX-UHFFFAOYSA-N

Compound name

N',3,4,5-tetrahydroxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 39
References: 5
Patents: 184.0484 Da
Monoisotopic Mass: 0.3
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]+	185.05568	136.2
[M+Na]+	207.03762	144.9
[M+NH4]+	202.08222	141.7
[M+K]+	223.01156	142.7
[M-H]-	183.04112	135.9
[M+Na-2H]-	205.02307	139.4
[M]+	184.04785	136.7
[M]-	184.04895	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe