CID 78527

1-ethyl-2-iodoquinolinium iodide

Structural Information

Molecular Formula
C11H11IN
SMILES
CC[N+]1=C(C=CC2=CC=CC=C21)I
InChI
InChI=1S/C11H11IN/c1-2-13-10-6-4-3-5-9(10)7-8-11(13)12/h3-8H,2H2,1H3/q+1
InChIKey
XIFBEHMCTYOYFM-UHFFFAOYSA-N
Compound name
1-ethyl-2-iodoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

283.99362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.00090 142.3
[M+Na]+ 306.98284 144.7
[M-H]- 282.98634 138.9
[M+NH4]+ 302.02744 157.4
[M+K]+ 322.95678 142.0
[M+H-H2O]+ 266.99088 134.8
[M+HCOO]- 328.99182 159.3
[M+CH3COO]- 343.00747 184.9
[M+Na-2H]- 304.96829 141.2
[M]+ 283.99307 139.3
[M]- 283.99417 139.3
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

patents stripe