CID 101985

Butan-2-one phenylhydrazone

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CCC(=NNC1=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

InChIKey

BPAJPMUNAALLEK-UHFFFAOYSA-N

Compound name

N-(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]+	163.12297	135.6
[M+Na]+	185.10491	141.4
[M-H]-	161.10841	140.4
[M+NH4]+	180.14951	156.3
[M+K]+	201.07885	139.9
[M+H-H2O]+	145.11295	128.9
[M+HCOO]-	207.11389	162.6
[M+CH3COO]-	221.12954	186.0
[M+Na-2H]-	183.09036	143.1
[M]+	162.11514	134.8
[M]-	162.11624	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe