CID 3297025

165101-57-5

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CCCCC(CC)C1N(CCO1)CCCC

InChI

InChI=1S/C14H29NO/c1-4-7-9-13(6-3)14-15(10-8-5-2)11-12-16-14/h13-14H,4-12H2,1-3H3

InChIKey

CYMHAQCMKNVHPA-UHFFFAOYSA-N

Compound name

3-butyl-2-heptan-3-yl-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 150
Patents: 227.22491 Da
Monoisotopic Mass: 4.4
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]+	228.232186	161.3
[M+Na]+	250.214128	165.1
[M-H]-	226.217634	162.6
[M+NH4]+	245.258733	178.7
[M+K]+	266.188068	164.4
[M+H-H2O]+	210.222170	154.3
[M+HCOO]-	272.223111	178.9
[M+CH3COO]-	286.238761	193.8
[M+Na-2H]-	248.199576	161.3
[M]+	227.22436142	163.1
[M]-	227.22545858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe