CID 3042635

60157-58-6

Structural Information

Molecular Formula
C12H12NO
SMILES
C[N+]1=CC=CC2=C1C(=CC=C2)OC=C
InChI
InChI=1S/C12H12NO/c1-3-14-11-8-4-6-10-7-5-9-13(2)12(10)11/h3-9H,1H2,2H3/q+1
InChIKey
QCVYKYSXVJWSDU-UHFFFAOYSA-N
Compound name
8-ethenoxy-1-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.09189 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09917 139.8
[M+Na]+ 209.08111 149.5
[M-H]- 185.08461 143.7
[M+NH4]+ 204.12571 159.5
[M+K]+ 225.05505 140.5
[M+H-H2O]+ 169.08915 135.8
[M+HCOO]- 231.09009 162.2
[M+CH3COO]- 245.10574 177.2
[M+Na-2H]- 207.06656 150.5
[M]+ 186.09134 140.4
[M]- 186.09244 140.4
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

No patent data available for this compound.