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

14
Patents

178.04236 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.049636 133.8
[M+Na]+ 201.031578 144.7
[M-H]- 177.035084 137.6
[M+NH4]+ 196.076183 154.7
[M+K]+ 217.005518 134.6
[M+H-H2O]+ 161.039620 131.0
[M+HCOO]- 223.040561 151.7
[M+CH3COO]- 237.056211 174.1
[M+Na-2H]- 199.017026 145.0
[M]+ 178.04181142 135.0
[M]- 178.04290858 135.0
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