CID 200154

606-93-9

Structural Information

Molecular Formula
C13H16N
SMILES
CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C
InChI
InChI=1S/C13H16N/c1-4-14-11(3)6-7-12-9-10(2)5-8-13(12)14/h5-9H,4H2,1-3H3/q+1
InChIKey
UYUXPPWWYBYWQE-UHFFFAOYSA-N
Compound name
1-ethyl-2,6-dimethylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

186.12828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.135556 141.6
[M+Na]+ 209.117498 151.6
[M-H]- 185.121004 145.7
[M+NH4]+ 204.162103 161.8
[M+K]+ 225.091438 142.5
[M+H-H2O]+ 169.125540 137.9
[M+HCOO]- 231.126481 163.2
[M+CH3COO]- 245.142131 180.4
[M+Na-2H]- 207.102946 151.1
[M]+ 186.12773142 142.2
[M]- 186.12882858 142.2
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

patents stripe