CID 4420451

Decyl isocyanate

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCCCCCCCCCN=C=O

InChI

InChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3

InChIKey

XFEWMFDVBLLXFE-UHFFFAOYSA-N

Compound name

1-isocyanatodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2310
Patents: 183.16231 Da
Monoisotopic Mass: 5.5
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]+	184.16959	145.5
[M+Na]+	206.15153	155.0
[M+NH4]+	201.19613	152.8
[M+K]+	222.12547	147.2
[M-H]-	182.15503	145.7
[M+Na-2H]-	204.13698	149.0
[M]+	183.16176	146.6
[M]-	183.16286	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe