CID 117923

Pyridinium, 4-(3-furyl)-1-methyl-, iodide

Structural Information

Molecular Formula
C10H10NO
SMILES
C[N+]1=CC=C(C=C1)C2=COC=C2
InChI
InChI=1S/C10H10NO/c1-11-5-2-9(3-6-11)10-4-7-12-8-10/h2-8H,1H3/q+1
InChIKey
WGYVKAVGJRWRAE-UHFFFAOYSA-N
Compound name
4-(furan-3-yl)-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.07623 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.083506 132.0
[M+Na]+ 183.065448 141.2
[M-H]- 159.068954 138.8
[M+NH4]+ 178.110053 151.7
[M+K]+ 199.039388 134.6
[M+H-H2O]+ 143.073490 128.1
[M+HCOO]- 205.074431 156.2
[M+CH3COO]- 219.090081 169.3
[M+Na-2H]- 181.050896 142.0
[M]+ 160.07568142 132.2
[M]- 160.07677858 132.2
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.