CID 3051662

67625-13-2

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=CC=CC=C1C2N(CCO2)C

InChI

InChI=1S/C11H15NO/c1-9-5-3-4-6-10(9)11-12(2)7-8-13-11/h3-6,11H,7-8H2,1-2H3

InChIKey

HOLRMCUEVLMWIO-UHFFFAOYSA-N

Compound name

3-methyl-2-(2-methylphenyl)-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.11537 Da
Monoisotopic Mass: 1.9
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]+	178.12265	137.9
[M+Na]+	200.10459	145.8
[M-H]-	176.10809	144.0
[M+NH4]+	195.14919	157.5
[M+K]+	216.07853	144.6
[M+H-H2O]+	160.11263	131.3
[M+HCOO]-	222.11357	159.3
[M+CH3COO]-	236.12922	180.4
[M+Na-2H]-	198.09004	142.5
[M]+	177.11482	137.2
[M]-	177.11592	137.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.