CID 129276

Nitrosomethylundecylamine

Structural Information

Molecular Formula

C₁₂H₂₆N₂O

SMILES

CCCCCCCCCCCN(C)N=O

InChI

InChI=1S/C12H26N2O/c1-3-4-5-6-7-8-9-10-11-12-14(2)13-15/h3-12H2,1-2H3

InChIKey

TZBWQIWBMMBFBF-UHFFFAOYSA-N

Compound name

N-methyl-N-undecylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 214.20451 Da
Monoisotopic Mass: 5.2
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]+	215.211786	155.6
[M+Na]+	237.193728	159.4
[M-H]-	213.197234	157.5
[M+NH4]+	232.238333	175.1
[M+K]+	253.167668	159.7
[M+H-H2O]+	197.201770	148.6
[M+HCOO]-	259.202711	181.8
[M+CH3COO]-	273.218361	202.4
[M+Na-2H]-	235.179176	159.6
[M]+	214.20396142	161.5
[M]-	214.20505858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.