CID 3085386

Schembl8533945

Structural Information

Molecular Formula

C₁₄H₃₁NO

SMILES

CCOCC(C)(C)CCCCCCCCN

InChI

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

InChIKey

YZDDMFFTOVVVMX-UHFFFAOYSA-N

Compound name

10-ethoxy-9,9-dimethyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 229.24057 Da
Monoisotopic Mass: 3.9
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	163.1
[M+Na]+	252.229788	166.6
[M-H]-	228.233294	161.6
[M+NH4]+	247.274393	181.0
[M+K]+	268.203728	164.7
[M+H-H2O]+	212.237830	157.3
[M+HCOO]-	274.238771	183.3
[M+CH3COO]-	288.254421	197.9
[M+Na-2H]-	250.215236	165.7
[M]+	229.24002142	166.6
[M]-	229.24111858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe