CID 164950

Robustine

Structural Information

Molecular Formula
C12H9NO3
SMILES
COC1=C2C=COC2=NC3=C1C=CC=C3O
InChI
InChI=1S/C12H9NO3/c1-15-11-7-3-2-4-9(14)10(7)13-12-8(11)5-6-16-12/h2-6,14H,1H3
InChIKey
VGVNNMLKTSWBAR-UHFFFAOYSA-N
Compound name
4-methoxyfuro[2,3-b]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

93
Patents

215.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 141.4
[M+Na]+ 238.047458 153.7
[M-H]- 214.050964 146.3
[M+NH4]+ 233.092063 161.3
[M+K]+ 254.021398 151.1
[M+H-H2O]+ 198.055500 135.4
[M+HCOO]- 260.056441 163.8
[M+CH3COO]- 274.072091 156.1
[M+Na-2H]- 236.032906 150.8
[M]+ 215.05769142 147.0
[M]- 215.05878858 147.0
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