CID 3085346

66256-71-1

Structural Information

Molecular Formula
C12H14NO
SMILES
CC[N+]1=C(OC=C1C2=CC=CC=C2)C
InChI
InChI=1S/C12H14NO/c1-3-13-10(2)14-9-12(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/q+1
InChIKey
IAWKONCXAHGIJY-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-4-phenyl-1,3-oxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10754 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11482 141.3
[M+Na]+ 211.09676 150.6
[M-H]- 187.10026 148.2
[M+NH4]+ 206.14136 160.2
[M+K]+ 227.07070 143.4
[M+H-H2O]+ 171.10480 137.2
[M+HCOO]- 233.10574 164.9
[M+CH3COO]- 247.12139 176.4
[M+Na-2H]- 209.08221 149.6
[M]+ 188.10699 142.5
[M]- 188.10809 142.5
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.