CID 82470

10228-03-2

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₃

SMILES

CNC1=C(C=C(C=C1)N(C)CCO)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3

InChIKey

WFQYZMBZJONURU-UHFFFAOYSA-N

Compound name

2-[N-methyl-4-(methylamino)-3-nitroanilino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 259
Patents: 225.11134 Da
Monoisotopic Mass: 1.7
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]+	226.11862	148.1
[M+Na]+	248.10056	158.7
[M+NH4]+	243.14516	155.1
[M+K]+	264.07450	156.4
[M-H]-	224.10406	151.7
[M+Na-2H]-	246.08601	153.4
[M]+	225.11079	150.2
[M]-	225.11189	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe