CID 69063

605-59-4

Structural Information

Molecular Formula
C12H14N
SMILES
CC[N+]1=CC=C(C2=CC=CC=C21)C
InChI
InChI=1S/C12H14N/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13/h4-9H,3H2,1-2H3/q+1
InChIKey
LCNWZISUNVZUOV-UHFFFAOYSA-N
Compound name
1-ethyl-4-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

555
Patents

172.11263 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe