CID 4517135

2-butanone, 2-(4-nitrophenyl)hydrazone

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C10H13N3O2/c1-3-8(2)11-12-9-4-6-10(7-5-9)13(14)15/h4-7,12H,3H2,1-2H3

InChIKey

HCKKWFJUSMCMHZ-UHFFFAOYSA-N

Compound name

N-(butan-2-ylideneamino)-4-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.10077 Da
Monoisotopic Mass: 2.4
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]+	208.10805	143.7
[M+Na]+	230.08999	149.1
[M-H]-	206.09349	148.6
[M+NH4]+	225.13459	161.8
[M+K]+	246.06393	143.9
[M+H-H2O]+	190.09803	141.3
[M+HCOO]-	252.09897	171.8
[M+CH3COO]-	266.11462	188.2
[M+Na-2H]-	228.07544	151.3
[M]+	207.10022	142.1
[M]-	207.10132	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe