CID 9578454

Butyraldazine

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: 0
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]+	141.13863	133.0
[M+Na]+	163.12057	142.8
[M+NH4]+	158.16517	141.3
[M+K]+	179.09451	135.4
[M-H]-	139.12407	134.7
[M+Na-2H]-	161.10602	138.0
[M]+	140.13080	134.6
[M]-	140.13190	134.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.