CID 101874

Quinolinium, 1-ethyl-6-methyl-, iodide

Structural Information

Molecular Formula
C12H14N
SMILES
CC[N+]1=CC=CC2=C1C=CC(=C2)C
InChI
InChI=1S/C12H14N/c1-3-13-8-4-5-11-9-10(2)6-7-12(11)13/h4-9H,3H2,1-2H3/q+1
InChIKey
WWLSTUHZJJDJJY-UHFFFAOYSA-N
Compound name
1-ethyl-6-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.11263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11991 137.3
[M+Na]+ 195.10185 146.7
[M-H]- 171.10535 141.2
[M+NH4]+ 190.14645 157.7
[M+K]+ 211.07579 137.9
[M+H-H2O]+ 155.10989 133.5
[M+HCOO]- 217.11083 159.2
[M+CH3COO]- 231.12648 176.3
[M+Na-2H]- 193.08730 148.0
[M]+ 172.11208 137.2
[M]- 172.11318 137.2
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.