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

11
Patents

186.12828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13556 141.6
[M+Na]+ 209.11750 151.6
[M-H]- 185.12100 145.7
[M+NH4]+ 204.16210 161.8
[M+K]+ 225.09144 142.5
[M+H-H2O]+ 169.12554 137.9
[M+HCOO]- 231.12648 163.2
[M+CH3COO]- 245.14213 180.4
[M+Na-2H]- 207.10295 151.1
[M]+ 186.12773 142.2
[M]- 186.12883 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