CID 14993650

121898-67-7

Structural Information

Molecular Formula

C₁₂H₂₅NO₂

SMILES

CCCCC(CC)C1N(CCO1)CCO

InChI

InChI=1S/C12H25NO2/c1-3-5-6-11(4-2)12-13(7-9-14)8-10-15-12/h11-12,14H,3-10H2,1-2H3

InChIKey

VIYJONXJODLOMD-UHFFFAOYSA-N

Compound name

2-(2-heptan-3-yl-1,3-oxazolidin-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 215.18852 Da
Monoisotopic Mass: 2.5
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]+	216.195796	155.6
[M+Na]+	238.177738	159.8
[M-H]-	214.181244	155.8
[M+NH4]+	233.222343	172.7
[M+K]+	254.151678	159.1
[M+H-H2O]+	198.185780	149.1
[M+HCOO]-	260.186721	172.6
[M+CH3COO]-	274.202371	187.1
[M+Na-2H]-	236.163186	156.2
[M]+	215.18797142	156.2
[M]-	215.18906858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe