CID 205827

18704-52-4

Structural Information

Molecular Formula
C12H15N2O
SMILES
CCC1=NOC(=C1)C2=CC=[N+](C=C2)CC
InChI
InChI=1S/C12H15N2O/c1-3-11-9-12(15-13-11)10-5-7-14(4-2)8-6-10/h5-9H,3-4H2,1-2H3/q+1
InChIKey
IJQSAUPTTTURND-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-ethylpyridin-1-ium-4-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12572 145.6
[M+Na]+ 226.10766 154.9
[M-H]- 202.11116 151.0
[M+NH4]+ 221.15226 162.6
[M+K]+ 242.08160 147.5
[M+H-H2O]+ 186.11570 140.4
[M+HCOO]- 248.11664 167.8
[M+CH3COO]- 262.13229 179.1
[M+Na-2H]- 224.09311 153.8
[M]+ 203.11789 147.3
[M]- 203.11899 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.