CID 12532

Stearonitrile

Structural Information

Molecular Formula

C₁₈H₃₅N

SMILES

CCCCCCCCCCCCCCCCCC#N

InChI

InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-17H2,1H3

InChIKey

RHSBIGNQEIPSCT-UHFFFAOYSA-N

Compound name

octadecanenitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 1578
Patents: 265.27695 Da
Monoisotopic Mass: 8.0
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]+	266.28423	164.1
[M+Na]+	288.26617	168.9
[M-H]-	264.26967	163.2
[M+NH4]+	283.31077	179.6
[M+K]+	304.24011	165.4
[M+H-H2O]+	248.27421	151.4
[M+HCOO]-	310.27515	181.2
[M+CH3COO]-	324.29080	214.6
[M+Na-2H]-	286.25162	165.9
[M]+	265.27640	164.8
[M]-	265.27750	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.