CID 9578454

Butanal, butylidenehydrazone

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CCC/C=N/N=C/CCC

InChI

InChI=1S/C8H16N2/c1-3-5-7-9-10-8-6-4-2/h7-8H,3-6H2,1-2H3/b9-7+,10-8+

InChIKey

MREJHSSUOXPZPS-FIFLTTCUSA-N

Compound name

(E)-N-[(E)-butylideneamino]butan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 140.13135 Da
Monoisotopic Mass: 1.6
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]+	141.138626	132.1
[M+Na]+	163.120568	138.3
[M-H]-	139.124074	134.9
[M+NH4]+	158.165173	154.8
[M+K]+	179.094508	138.2
[M+H-H2O]+	123.128610	126.2
[M+HCOO]-	185.129551	160.6
[M+CH3COO]-	199.145201	185.2
[M+Na-2H]-	161.106016	139.6
[M]+	140.13080142	134.8
[M]-	140.13189858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe