CID 2756567

1-pentyl isocyanide

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CCCCC[N+]#[C-]

InChI

InChI=1S/C6H11N/c1-3-4-5-6-7-2/h3-6H2,1H3

InChIKey

QVUBMHTYZLUXSP-UHFFFAOYSA-N

Compound name

1-isocyanopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 713
Patents: 97.08915 Da
Monoisotopic Mass: 1.7
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]+	98.096426	122.7
[M+Na]+	120.078368	131.8
[M-H]-	96.081874	122.6
[M+NH4]+	115.122973	143.4
[M+K]+	136.052308	126.5
[M+H-H2O]+	80.086410	116.9
[M+HCOO]-	142.087351	142.5
[M+CH3COO]-	156.103001	173.8
[M+Na-2H]-	118.063816	130.4
[M]+	97.08860142	116.1
[M]-	97.08969858	116.1

Literature stripe

literature stripe

Patent stripe

patents stripe