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

0
Patents

269.0319 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03918 154.7
[M+Na]+ 292.02112 168.3
[M+NH4]+ 287.06572 165.0
[M+K]+ 307.99506 160.7
[M-H]- 268.02462 159.7
[M+Na-2H]- 290.00657 163.0
[M]+ 269.03135 158.4
[M]- 269.03245 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.