CID 22803

Dioctylnitrosamine

Structural Information

Molecular Formula

C₁₆H₃₄N₂O

SMILES

CCCCCCCCN(CCCCCCCC)N=O

InChI

InChI=1S/C16H34N2O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

FLYCLWANFMDRKT-UHFFFAOYSA-N

Compound name

N,N-dioctylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 270.26712 Da
Monoisotopic Mass: 7.0
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]+	271.27440	172.1
[M+Na]+	293.25634	179.4
[M+NH4]+	288.30094	178.5
[M+K]+	309.23028	171.5
[M-H]-	269.25984	172.9
[M+Na-2H]-	291.24179	174.3
[M]+	270.26657	173.0
[M]-	270.26767	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe