CID 12486951

4-azidoquinoline

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC=C2C(=C1)C(=CC=N2)N=[N+]=[N-]
InChI
InChI=1S/C9H6N4/c10-13-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-6H
InChIKey
CWDKLJUWZQZNNI-UHFFFAOYSA-N
Compound name
4-azidoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.05925 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe