CID 59259419

8-azidoisoquinoline

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC2=C(C=NC=C2)C(=C1)N=[N+]=[N-]
InChI
InChI=1S/C9H6N4/c10-13-12-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
InChIKey
DVANISVYTBBBEX-UHFFFAOYSA-N
Compound name
8-azidoisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

170.05925 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.066526 128.8
[M+Na]+ 193.048468 137.0
[M-H]- 169.051974 134.9
[M+NH4]+ 188.093073 149.0
[M+K]+ 209.022408 130.0
[M+H-H2O]+ 153.056510 125.6
[M+HCOO]- 215.057451 158.9
[M+CH3COO]- 229.073101 182.7
[M+Na-2H]- 191.033916 143.5
[M]+ 170.05870142 126.5
[M]- 170.05979858 126.5
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