CID 114443

2-dodecanamine, n,n-dimethyl-, n-oxide

Structural Information

Molecular Formula

C₁₄H₃₁NO

SMILES

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

InChI

InChI=1S/C14H31NO/c1-5-6-7-8-9-10-11-12-13-14(2)15(3,4)16/h14H,5-13H2,1-4H3

InChIKey

WWTZPQPNQQUDTA-UHFFFAOYSA-N

Compound name

N,N-dimethyldodecan-2-amine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 229.24057 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]+	230.247846	162.2
[M+Na]+	252.229788	165.8
[M-H]-	228.233294	161.5
[M+NH4]+	247.274393	180.4
[M+K]+	268.203728	160.0
[M+H-H2O]+	212.237830	161.8
[M+HCOO]-	274.238771	182.7
[M+CH3COO]-	288.254421	192.6
[M+Na-2H]-	250.215236	166.6
[M]+	229.24002142	164.0
[M]-	229.24111858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe