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: 5
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	132.1
[M+Na]+	163.12057	138.3
[M-H]-	139.12407	134.9
[M+NH4]+	158.16517	154.8
[M+K]+	179.09451	138.2
[M+H-H2O]+	123.12861	126.2
[M+HCOO]-	185.12955	160.6
[M+CH3COO]-	199.14520	185.2
[M+Na-2H]-	161.10602	139.6
[M]+	140.13080	134.8
[M]-	140.13190	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe