CID 6445991

4,4-dimethyl-2-(2-(2-thienyl)ethenyl)-2-oxazoline

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 144.0
[M+Na]+ 230.06102 154.0
[M-H]- 206.06452 151.0
[M+NH4]+ 225.10562 166.9
[M+K]+ 246.03496 152.2
[M+H-H2O]+ 190.06906 139.1
[M+HCOO]- 252.07000 163.1
[M+CH3COO]- 266.08565 158.3
[M+Na-2H]- 228.04647 145.8
[M]+ 207.07125 147.3
[M]- 207.07235 147.3
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

patents stripe