CID 3297025

Oxazolidine, 3-butyl-2-(1-ethylpentyl)-

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

2
Annotation Hits: 0
References: 143
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]+	228.23219	159.5
[M+Na]+	250.21413	168.3
[M+NH4]+	245.25873	166.8
[M+K]+	266.18807	163.7
[M-H]-	226.21763	161.2
[M+Na-2H]-	248.19958	161.2
[M]+	227.22436	161.0
[M]-	227.22546	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe