CID 209727

20242-33-5

Structural Information

Molecular Formula
C12H15N2O
SMILES
CCC[N+]1=CC=C(C=C1)C2=CC(=NO2)C
InChI
InChI=1S/C12H15N2O/c1-3-6-14-7-4-11(5-8-14)12-9-10(2)13-15-12/h4-5,7-9H,3,6H2,1-2H3/q+1
InChIKey
TYPISFUHYAACBZ-UHFFFAOYSA-N
Compound name
3-methyl-5-(1-propylpyridin-1-ium-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.11844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.125716 145.6
[M+Na]+ 226.107658 154.9
[M-H]- 202.111164 151.0
[M+NH4]+ 221.152263 162.6
[M+K]+ 242.081598 147.5
[M+H-H2O]+ 186.115700 140.4
[M+HCOO]- 248.116641 167.8
[M+CH3COO]- 262.132291 179.1
[M+Na-2H]- 224.093106 153.8
[M]+ 203.11789142 147.3
[M]- 203.11898858 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

No patent data available for this compound.