CID 14860

6-methoxyquinoline

Structural Information

Molecular Formula
C10H9NO
SMILES
COC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
InChIKey
HFDLDPJYCIEXJP-UHFFFAOYSA-N
Compound name
6-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

2137
Patents

159.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 129.9
[M+Na]+ 182.05764 139.3
[M-H]- 158.06114 133.4
[M+NH4]+ 177.10224 150.7
[M+K]+ 198.03158 136.8
[M+H-H2O]+ 142.06568 123.3
[M+HCOO]- 204.06662 153.0
[M+CH3COO]- 218.08227 144.2
[M+Na-2H]- 180.04309 140.3
[M]+ 159.06787 131.3
[M]- 159.06897 131.3
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