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

0
Patents

189.10278 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.11006 140.8
[M+Na]+ 212.09200 150.5
[M-H]- 188.09550 146.4
[M+NH4]+ 207.13660 158.3
[M+K]+ 228.06594 143.4
[M+H-H2O]+ 172.10004 135.8
[M+HCOO]- 234.10098 163.3
[M+CH3COO]- 248.11663 176.1
[M+Na-2H]- 210.07745 149.5
[M]+ 189.10223 142.1
[M]- 189.10333 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.