CID 4233940

1,4-diisocyanobutane

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

[C-]#[N+]CCCC[N+]#[C-]

InChI

InChI=1S/C6H8N2/c1-7-5-3-4-6-8-2/h3-6H2

InChIKey

SEIOPNFVJBEBMP-UHFFFAOYSA-N

Compound name

1,4-diisocyanobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 108.06875 Da
Monoisotopic Mass: -0.3
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]+	109.07603	149.0
[M+Na]+	131.05797	157.7
[M-H]-	107.06147	149.5
[M+NH4]+	126.10257	162.7
[M+K]+	147.03191	149.6
[M+H-H2O]+	91.066010	142.0
[M+HCOO]-	153.06695	160.5
[M+CH3COO]-	167.08260	196.5
[M+Na-2H]-	129.04342	152.8
[M]+	108.06820	137.8
[M]-	108.06930	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe