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]+ 171.06653 128.8
[M+Na]+ 193.04847 137.0
[M-H]- 169.05197 134.9
[M+NH4]+ 188.09307 149.0
[M+K]+ 209.02241 130.0
[M+H-H2O]+ 153.05651 125.6
[M+HCOO]- 215.05745 158.9
[M+CH3COO]- 229.07310 182.7
[M+Na-2H]- 191.03392 143.5
[M]+ 170.05870 126.5
[M]- 170.05980 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