CID 247906

Undecanedinitrile

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

C(CCCCC#N)CCCCC#N

InChI

InChI=1S/C11H18N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-9H2

InChIKey

ISIQQQYKUPBYSL-UHFFFAOYSA-N

Compound name

undecanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1425
Patents: 178.147 Da
Monoisotopic Mass: 2.3
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]+	179.15428	166.0
[M+Na]+	201.13622	173.2
[M+NH4]+	196.18082	166.5
[M+K]+	217.11016	162.2
[M-H]-	177.13972	155.1
[M+Na-2H]-	199.12167	164.0
[M]+	178.14645	162.6
[M]-	178.14755	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe