CID 594377

5-methoxyquinoline

Structural Information

Molecular Formula
C10H9NO
SMILES
COC1=CC=CC2=C1C=CC=N2
InChI
InChI=1S/C10H9NO/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
InChIKey
ZFVRPAOFSPXEIM-UHFFFAOYSA-N
Compound name
5-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

159.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 129.9
[M+Na]+ 182.057638 139.3
[M-H]- 158.061144 133.4
[M+NH4]+ 177.102243 150.7
[M+K]+ 198.031578 136.8
[M+H-H2O]+ 142.065680 123.3
[M+HCOO]- 204.066621 153.0
[M+CH3COO]- 218.082271 144.2
[M+Na-2H]- 180.043086 140.3
[M]+ 159.06787142 131.3
[M]- 159.06896858 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