CID 9576180

2-butanone, phenylhydrazone

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC/C(=N/NC1=CC=CC=C1)/C

InChI

InChI=1S/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3/b11-9+

InChIKey

BPAJPMUNAALLEK-PKNBQFBNSA-N

Compound name

N-[(E)-butan-2-ylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 29
Patents: 162.11569 Da
Monoisotopic Mass: 2.6
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]+	163.122966	135.6
[M+Na]+	185.104908	141.4
[M-H]-	161.108414	140.4
[M+NH4]+	180.149513	156.3
[M+K]+	201.078848	139.9
[M+H-H2O]+	145.112950	128.9
[M+HCOO]-	207.113891	162.6
[M+CH3COO]-	221.129541	186.0
[M+Na-2H]-	183.090356	143.1
[M]+	162.11514142	134.8
[M]-	162.11623858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe