CID 41320

55090-44-3

Structural Information

Molecular Formula

C₁₃H₂₈N₂O

SMILES

CCCCCCCCCCCCN(C)N=O

InChI

InChI=1S/C13H28N2O/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h3-13H2,1-2H3

InChIKey

QPUKANZXOGADOB-UHFFFAOYSA-N

Compound name

N-dodecyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 378
Patents: 228.22017 Da
Monoisotopic Mass: 5.8
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]+	229.22745	160.2
[M+Na]+	251.20939	163.6
[M-H]-	227.21289	161.9
[M+NH4]+	246.25399	179.1
[M+K]+	267.18333	163.6
[M+H-H2O]+	211.21743	152.9
[M+HCOO]-	273.21837	186.1
[M+CH3COO]-	287.23402	205.4
[M+Na-2H]-	249.19484	163.6
[M]+	228.21962	166.4
[M]-	228.22072	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe