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]+ 160.07570 130.3
[M+Na]+ 182.05764 139.9
[M-H]- 158.06114 132.8
[M+NH4]+ 177.10224 150.3
[M+K]+ 198.03158 132.1
[M+H-H2O]+ 142.06568 129.0
[M+HCOO]- 204.06662 152.5
[M+CH3COO]- 218.08227 169.1
[M+Na-2H]- 180.04309 141.2
[M]+ 159.06787 128.5
[M]- 159.06897 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.