CID 120043

28770-01-6

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)C1N(CCO1)CCO

InChI

InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3

InChIKey

DZARITHRMKPIQB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 359
Patents: 159.12593 Da
Monoisotopic Mass: 0.7
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]+	160.133206	137.0
[M+Na]+	182.115148	142.9
[M-H]-	158.118654	138.0
[M+NH4]+	177.159753	156.4
[M+K]+	198.089088	143.3
[M+H-H2O]+	142.123190	131.3
[M+HCOO]-	204.124131	155.4
[M+CH3COO]-	218.139781	175.1
[M+Na-2H]-	180.100596	139.9
[M]+	159.12538142	136.2
[M]-	159.12647858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe