CID 221486

2057-82-1

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₄

SMILES

CC(C)C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4/c1-7(2)6-11-12-9-4-3-8(13(15)16)5-10(9)14(17)18/h3-7,12H,1-2H3

InChIKey

WYSDOKPZMGYVGI-UHFFFAOYSA-N

Compound name

N-(2-methylpropylideneamino)-2,4-dinitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.08586 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]+	253.09314	166.1
[M+Na]+	275.07508	171.9
[M+NH4]+	270.11968	174.4
[M+K]+	291.04902	180.8
[M-H]-	251.07858	161.2
[M+Na-2H]-	273.06053	163.5
[M]+	252.08531	167.5
[M]-	252.08641	167.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.