CID 19968

4-methylquinoline 1-oxide

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

44
Patents

159.06842 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 129.2
[M+Na]+ 182.05764 146.7
[M+NH4]+ 177.10224 139.9
[M+K]+ 198.03158 140.6
[M-H]- 158.06114 133.9
[M+Na-2H]- 180.04309 138.1
[M]+ 159.06787 133.3
[M]- 159.06897 133.3
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