CID 16722

Undecanenitrile

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CCCCCCCCCCC#N

InChI

InChI=1S/C11H21N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H2,1H3

InChIKey

SZKKNEOUHLFYNA-UHFFFAOYSA-N

Compound name

undecanenitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 1428
Patents: 167.1674 Da
Monoisotopic Mass: 4.2
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]+	168.17468	137.0
[M+Na]+	190.15662	144.3
[M-H]-	166.16012	137.2
[M+NH4]+	185.20122	155.9
[M+K]+	206.13056	142.6
[M+H-H2O]+	150.16466	125.5
[M+HCOO]-	212.16560	156.1
[M+CH3COO]-	226.18125	195.8
[M+Na-2H]-	188.14207	142.0
[M]+	167.16685	135.2
[M]-	167.16795	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe