CID 15433

1643-20-5

Structural Information

Molecular Formula

C₁₄H₃₁NO

SMILES

CCCCCCCCCCCC[N+](C)(C)[O-]

InChI

InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3

InChIKey

SYELZBGXAIXKHU-UHFFFAOYSA-N

Compound name

N,N-dimethyldodecan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 146
References: 55396
Patents: 229.24057 Da
Monoisotopic Mass: 5.3
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]+	230.24785	162.5
[M+Na]+	252.22979	166.3
[M-H]-	228.23329	161.6
[M+NH4]+	247.27439	180.7
[M+K]+	268.20373	160.0
[M+H-H2O]+	212.23783	162.0
[M+HCOO]-	274.23877	183.9
[M+CH3COO]-	288.25442	192.0
[M+Na-2H]-	250.21524	168.0
[M]+	229.24002	164.9
[M]-	229.24112	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe