CID 41908

1-dodecylhexamethylenimine-n-oxide

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCCCCCCCCCCC[N+]1(CCCCCC1)[O-]

InChI

InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-13-16-19(20)17-14-11-12-15-18-19/h2-18H2,1H3

InChIKey

HYDFMWOGHZZOKE-UHFFFAOYSA-N

Compound name

1-dodecyl-1-oxidoazepan-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 283.2875 Da
Monoisotopic Mass: 6.5
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]+	284.29478	173.5
[M+Na]+	306.27672	182.0
[M+NH4]+	301.32132	181.7
[M+K]+	322.25066	174.9
[M-H]-	282.28022	175.5
[M+Na-2H]-	304.26217	177.5
[M]+	283.28695	175.3
[M]-	283.28805	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe