CID 23674

Actinoquinol

Structural Information

Molecular Formula
C11H11NO4S
SMILES
CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2
InChI
InChI=1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)
InChIKey
YAMVZYRZAMBCED-UHFFFAOYSA-N
Compound name
8-ethoxyquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

403
References

354
Patents

253.04088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04816 151.7
[M+Na]+ 276.03010 161.7
[M-H]- 252.03360 154.2
[M+NH4]+ 271.07470 168.6
[M+K]+ 292.00404 158.0
[M+H-H2O]+ 236.03814 145.6
[M+HCOO]- 298.03908 167.2
[M+CH3COO]- 312.05473 188.1
[M+Na-2H]- 274.01555 158.4
[M]+ 253.04033 156.7
[M]- 253.04143 156.7
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.