CID 108801

59673-74-4

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=C(C=C1N)NNC2=O
InChI
InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
RVEOZWSYDIHKIB-UHFFFAOYSA-N
Compound name
6-amino-1,2-dihydroindazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

149.05891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 126.0
[M+Na]+ 172.048128 137.2
[M-H]- 148.051634 126.1
[M+NH4]+ 167.092733 146.1
[M+K]+ 188.022068 132.4
[M+H-H2O]+ 132.056170 119.9
[M+HCOO]- 194.057111 148.6
[M+CH3COO]- 208.072761 139.8
[M+Na-2H]- 170.033576 134.0
[M]+ 149.05836142 123.4
[M]- 149.05945858 123.4
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