CID 152312803

4-azido-1h-indazole

Structural Information

Molecular Formula
C7H5N5
SMILES
C1=CC2=C(C=NN2)C(=C1)N=[N+]=[N-]
InChI
InChI=1S/C7H5N5/c8-12-11-7-3-1-2-6-5(7)4-9-10-6/h1-4H,(H,9,10)
InChIKey
WRTINMGQJXEDSC-UHFFFAOYSA-N
Compound name
4-azido-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

159.05449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06177 124.5
[M+Na]+ 182.04371 134.0
[M-H]- 158.04721 128.6
[M+NH4]+ 177.08831 145.0
[M+K]+ 198.01765 126.5
[M+H-H2O]+ 142.05175 121.3
[M+HCOO]- 204.05269 154.6
[M+CH3COO]- 218.06834 176.2
[M+Na-2H]- 180.02916 138.8
[M]+ 159.05394 122.2
[M]- 159.05504 122.2
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