CID 6311587

1615-22-1

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CC1(COC(=N1)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+

InChIKey

IVCSIAZWAKWKDI-CMDGGOBGSA-N

Compound name

4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 201.11537 Da
Monoisotopic Mass: 2.5
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]+	202.12265	143.9
[M+Na]+	224.10459	152.3
[M-H]-	200.10809	150.1
[M+NH4]+	219.14919	164.3
[M+K]+	240.07853	150.1
[M+H-H2O]+	184.11263	137.3
[M+HCOO]-	246.11357	166.4
[M+CH3COO]-	260.12922	183.0
[M+Na-2H]-	222.09004	150.2
[M]+	201.11482	144.5
[M]-	201.11592	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe