CID 36828

N-nitrosomethyloctylamine

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCCCCCCCN(C)N=O

InChI

InChI=1S/C9H20N2O/c1-3-4-5-6-7-8-9-11(2)10-12/h3-9H2,1-2H3

InChIKey

CCSLOEMFOMJAFM-UHFFFAOYSA-N

Compound name

N-methyl-N-octylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 172.15756 Da
Monoisotopic Mass: 3.6
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]+	173.164836	141.8
[M+Na]+	195.146778	146.9
[M-H]-	171.150284	144.3
[M+NH4]+	190.191383	163.0
[M+K]+	211.120718	148.0
[M+H-H2O]+	155.154820	135.4
[M+HCOO]-	217.155761	169.0
[M+CH3COO]-	231.171411	193.3
[M+Na-2H]-	193.132226	147.4
[M]+	172.15701142	146.5
[M]-	172.15810858	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.