CID 208611

32596-83-1

Structural Information

Molecular Formula
C10H9ClN
SMILES
C[N+]1=CC=CC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C10H9ClN/c1-12-6-2-3-8-7-9(11)4-5-10(8)12/h2-7H,1H3/q+1
InChIKey
BNRCCMXPSVYKJC-UHFFFAOYSA-N
Compound name
6-chloro-1-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.04236 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04964 130.7
[M+Na]+ 201.03158 150.1
[M+NH4]+ 196.07618 142.9
[M+K]+ 217.00552 141.5
[M-H]- 177.03508 136.5
[M+Na-2H]- 199.01703 141.4
[M]+ 178.04181 136.1
[M]- 178.04291 136.1
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