CID 3517846

98191-69-6

Structural Information

Molecular Formula

C₁₂H₁₅NOSe

SMILES

CC1(COC(=N1)C2=CC=CC=C2[Se]C)C

InChI

InChI=1S/C12H15NOSe/c1-12(2)8-14-11(13-12)9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3

InChIKey

VBLDWIYPYVUIMV-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2-(2-methylselanylphenyl)-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.0319 Da
Monoisotopic Mass: None
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]+	270.03918	156.1
[M+Na]+	292.02112	164.6
[M-H]-	268.02462	162.1
[M+NH4]+	287.06572	176.1
[M+K]+	307.99506	162.6
[M+H-H2O]+	252.02916	149.0
[M+HCOO]-	314.03010	177.6
[M+CH3COO]-	328.04575	188.0
[M+Na-2H]-	290.00657	160.5
[M]+	269.03135	157.8
[M]-	269.03245	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe