CID 2756567

1-isocyanopentane

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: 194
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	119.7
[M+Na]+	120.07837	132.0
[M+NH4]+	115.12297	125.7
[M+K]+	136.05231	124.0
[M-H]-	96.081874	114.3
[M+Na-2H]-	118.06382	122.6
[M]+	97.088601	119.1
[M]-	97.089699	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe