CID 6447774

(e)-2-(3-bromostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Structural Information

Molecular Formula
C13H14BrNO
SMILES
CC1(COC(=N1)/C=C/C2=CC(=CC=C2)Br)C
InChI
InChI=1S/C13H14BrNO/c1-13(2)9-16-12(15-13)7-6-10-4-3-5-11(14)8-10/h3-8H,9H2,1-2H3/b7-6+
InChIKey
YXXVKCABHKZKFH-VOTSOKGWSA-N
Compound name
2-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.02588 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03316 159.2
[M+Na]+ 302.01510 163.2
[M+NH4]+ 297.05970 165.2
[M+K]+ 317.98904 161.9
[M-H]- 278.01860 161.9
[M+Na-2H]- 300.00055 163.8
[M]+ 279.02533 159.6
[M]- 279.02643 159.6
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.