CID 9543226

2,4-diamino-6-hydroxylaminotoluene

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC1=C(C=C(C=C1NO)N)N

InChI

InChI=1S/C7H11N3O/c1-4-6(9)2-5(8)3-7(4)10-11/h2-3,10-11H,8-9H2,1H3

InChIKey

DAAYGLKRMDTNSS-UHFFFAOYSA-N

Compound name

N-(3,5-diamino-2-methylphenyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: 0.4
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]+	154.097486	130.5
[M+Na]+	176.079428	138.6
[M-H]-	152.082934	132.9
[M+NH4]+	171.124033	150.2
[M+K]+	192.053368	136.0
[M+H-H2O]+	136.087470	124.8
[M+HCOO]-	198.088411	156.1
[M+CH3COO]-	212.104061	182.1
[M+Na-2H]-	174.064876	135.7
[M]+	153.08966142	126.1
[M]-	153.09075858	126.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.