CID 455267

Tgg-ii-39

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CC1(COC(=N1)C2(C=CCC3=CC=CC=C32)C)C

InChI

InChI=1S/C16H19NO/c1-15(2)11-18-14(17-15)16(3)10-6-8-12-7-4-5-9-13(12)16/h4-7,9-10H,8,11H2,1-3H3

InChIKey

LFIGLXFBNILORD-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.14667 Da
Monoisotopic Mass: 3.2
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]+	242.153946	154.6
[M+Na]+	264.135888	163.9
[M-H]-	240.139394	161.9
[M+NH4]+	259.180493	176.5
[M+K]+	280.109828	161.0
[M+H-H2O]+	224.143930	147.5
[M+HCOO]-	286.144871	174.2
[M+CH3COO]-	300.160521	167.8
[M+Na-2H]-	262.121336	161.2
[M]+	241.14612142	155.0
[M]-	241.14721858	155.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.