CID 11023622

73170-89-5

Structural Information

Molecular Formula

C₂₂H₄₁N

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC#N

InChI

InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-21H2,1H3/b10-9-

InChIKey

WNVYKFYGFCBJSI-KTKRTIGZSA-N

Compound name

(Z)-docos-13-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 319.3239 Da
Monoisotopic Mass: 9.2
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]+	320.33118	179.3
[M+Na]+	342.31312	183.0
[M-H]-	318.31662	177.8
[M+NH4]+	337.35772	192.8
[M+K]+	358.28706	177.9
[M+H-H2O]+	302.32116	166.0
[M+HCOO]-	364.32210	195.4
[M+CH3COO]-	378.33775	223.9
[M+Na-2H]-	340.29857	179.1
[M]+	319.32335	180.6
[M]-	319.32445	180.6

Literature stripe

literature stripe

Patent stripe

patents stripe