CID 6445991

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(2-thienyl)ethenyl)-

Structural Information

Molecular Formula

C₁₁H₁₃NOS

SMILES

CC1(COC(=N1)/C=C/C2=CC=CS2)C

InChI

InChI=1S/C11H13NOS/c1-11(2)8-13-10(12-11)6-5-9-4-3-7-14-9/h3-7H,8H2,1-2H3/b6-5+

InChIKey

OJQKLLLEJSUGLS-AATRIKPKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.0718 Da
Monoisotopic Mass: 2.2
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]+	208.079076	144.0
[M+Na]+	230.061018	154.0
[M-H]-	206.064524	151.0
[M+NH4]+	225.105623	166.9
[M+K]+	246.034958	152.2
[M+H-H2O]+	190.069060	139.1
[M+HCOO]-	252.070001	163.1
[M+CH3COO]-	266.085651	158.3
[M+Na-2H]-	228.046466	145.8
[M]+	207.07125142	147.3
[M]-	207.07234858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe