CID 19968

4-methylquinolin-1-ium-1-olate

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC=[N+](C2=CC=CC=C12)[O-]
InChI
InChI=1S/C10H9NO/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-7H,1H3
InChIKey
BKKKHCJYHYPKBC-UHFFFAOYSA-N
Compound name
4-methyl-1-oxidoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

159.06842 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.3
[M+Na]+ 182.057638 139.9
[M-H]- 158.061144 132.8
[M+NH4]+ 177.102243 150.3
[M+K]+ 198.031578 132.1
[M+H-H2O]+ 142.065680 129.0
[M+HCOO]- 204.066621 152.5
[M+CH3COO]- 218.082271 169.1
[M+Na-2H]- 180.043086 141.2
[M]+ 159.06787142 128.5
[M]- 159.06896858 128.5
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