CID 209719

20242-28-8

Structural Information

Molecular Formula
C11H13N2O
SMILES
CCC1=NOC(=C1)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C11H13N2O/c1-3-10-8-11(14-12-10)9-4-6-13(2)7-5-9/h4-8H,3H2,1-2H3/q+1
InChIKey
MSEZZBJZIZTARH-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.10278 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.110056 140.8
[M+Na]+ 212.091998 150.5
[M-H]- 188.095504 146.4
[M+NH4]+ 207.136603 158.3
[M+K]+ 228.065938 143.4
[M+H-H2O]+ 172.100040 135.8
[M+HCOO]- 234.100981 163.3
[M+CH3COO]- 248.116631 176.1
[M+Na-2H]- 210.077446 149.5
[M]+ 189.10223142 142.1
[M]- 189.10332858 142.1
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.