CID 64678

Tetradecanenitrile

Structural Information

Molecular Formula

C₁₄H₂₇N

SMILES

CCCCCCCCCCCCCC#N

InChI

InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3

InChIKey

MLRCLPRHEOPXLL-UHFFFAOYSA-N

Compound name

tetradecanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 601
Patents: 209.21436 Da
Monoisotopic Mass: 5.8
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]+	210.221636	148.7
[M+Na]+	232.203578	155.0
[M-H]-	208.207084	148.5
[M+NH4]+	227.248183	166.2
[M+K]+	248.177518	152.4
[M+H-H2O]+	192.211620	136.7
[M+HCOO]-	254.212561	167.0
[M+CH3COO]-	268.228211	203.9
[M+Na-2H]-	230.189026	152.3
[M]+	209.21381142	148.0
[M]-	209.21490858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe