CID 820619

7-methoxy-8-nitroisoquinoline

Structural Information

Molecular Formula
C10H8N2O3
SMILES
COC1=C(C2=C(C=C1)C=CN=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O3/c1-15-9-3-2-7-4-5-11-6-8(7)10(9)12(13)14/h2-6H,1H3
InChIKey
WDJGGSQGWMVUOD-UHFFFAOYSA-N
Compound name
7-methoxy-8-nitroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 138.9
[M+Na]+ 227.04272 147.6
[M-H]- 203.04622 142.7
[M+NH4]+ 222.08732 157.0
[M+K]+ 243.01666 141.4
[M+H-H2O]+ 187.05076 136.5
[M+HCOO]- 249.05170 163.1
[M+CH3COO]- 263.06735 180.2
[M+Na-2H]- 225.02817 149.7
[M]+ 204.05295 139.5
[M]- 204.05405 139.5
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.