CID 21919984

6-nitroisoquinolin-1-amine

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC2=C(C=CN=C2N)C=C1[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2/c10-9-8-2-1-7(12(13)14)5-6(8)3-4-11-9/h1-5H,(H2,10,11)
InChIKey
JTRXGAXNRZCOSO-UHFFFAOYSA-N
Compound name
6-nitroisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

189.05383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 134.2
[M+Na]+ 212.04305 148.7
[M+NH4]+ 207.08765 143.1
[M+K]+ 228.01699 144.9
[M-H]- 188.04655 138.6
[M+Na-2H]- 210.02850 141.8
[M]+ 189.05328 137.4
[M]- 189.05438 137.4
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

patents stripe