CID 3136655

41339-17-7

Structural Information

Molecular Formula
C7H6N4O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NN2)N
InChI
InChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10)
InChIKey
SWZRTDLKPZAFDT-UHFFFAOYSA-N
Compound name
5-nitro-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

178.04907 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05635 129.4
[M+Na]+ 201.03829 139.0
[M-H]- 177.04179 130.9
[M+NH4]+ 196.08289 147.9
[M+K]+ 217.01223 131.5
[M+H-H2O]+ 161.04633 127.3
[M+HCOO]- 223.04727 154.2
[M+CH3COO]- 237.06292 172.7
[M+Na-2H]- 199.02374 139.8
[M]+ 178.04852 126.6
[M]- 178.04962 126.6
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