CID 616169

1919-96-6

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

C1CCC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC1

InChI

InChI=1S/C12H15N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h6-9,14H,1-5H2

InChIKey

NCXJXQHKNOCCOV-UHFFFAOYSA-N

Compound name

N-(cyclohexylideneamino)-4-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 233.11642 Da
Monoisotopic Mass: 2.9
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]+	234.123696	148.9
[M+Na]+	256.105638	151.7
[M-H]-	232.109144	155.8
[M+NH4]+	251.150243	165.2
[M+K]+	272.079578	145.4
[M+H-H2O]+	216.113680	145.3
[M+HCOO]-	278.114621	174.4
[M+CH3COO]-	292.130271	190.3
[M+Na-2H]-	254.091086	156.6
[M]+	233.11587142	142.0
[M]-	233.11696858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe