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

19
Patents

159.05449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.061766 124.5
[M+Na]+ 182.043708 134.0
[M-H]- 158.047214 128.6
[M+NH4]+ 177.088313 145.0
[M+K]+ 198.017648 126.5
[M+H-H2O]+ 142.051750 121.3
[M+HCOO]- 204.052691 154.6
[M+CH3COO]- 218.068341 176.2
[M+Na-2H]- 180.029156 138.8
[M]+ 159.05394142 122.2
[M]- 159.05503858 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