CID 71592252

9-methoxytariacuripyrone

Structural Information

Molecular Formula
C14H9NO5
SMILES
COC1=CC2=C3C(=C(C=C2C=C1)[N+](=O)[O-])C=CC(=O)O3
InChI
InChI=1S/C14H9NO5/c1-19-9-3-2-8-6-12(15(17)18)10-4-5-13(16)20-14(10)11(8)7-9/h2-7H,1H3
InChIKey
FEFDFGCKFYFWHV-UHFFFAOYSA-N
Compound name
9-methoxy-5-nitrobenzo[h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

271.04807 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 153.5
[M+Na]+ 294.03729 164.0
[M-H]- 270.04079 160.9
[M+NH4]+ 289.08189 169.9
[M+K]+ 310.01123 158.1
[M+H-H2O]+ 254.04533 150.5
[M+HCOO]- 316.04627 178.0
[M+CH3COO]- 330.06192 193.2
[M+Na-2H]- 292.02274 165.5
[M]+ 271.04752 158.5
[M]- 271.04862 158.5
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

No patent data available for this compound.