CID 10171247

499206-33-6

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=C(C=NN2)C(=O)C1
InChI
InChI=1S/C7H8N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4H,1-3H2,(H,8,9)
InChIKey
FUVZDXDCPRQZSQ-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydroindazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

566
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 126.0
[M+Na]+ 159.05288 134.4
[M-H]- 135.05638 126.3
[M+NH4]+ 154.09748 147.2
[M+K]+ 175.02682 131.6
[M+H-H2O]+ 119.06092 119.5
[M+HCOO]- 181.06186 145.3
[M+CH3COO]- 195.07751 139.2
[M+Na-2H]- 157.03833 132.6
[M]+ 136.06311 122.1
[M]- 136.06421 122.1
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