CID 10171247

6,7-dihydro-1h-indazol-4(5h)-one

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

167
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 126.8
[M+Na]+ 159.05288 138.3
[M+NH4]+ 154.09748 135.4
[M+K]+ 175.02682 134.2
[M-H]- 135.05638 127.2
[M+Na-2H]- 157.03833 131.5
[M]+ 136.06311 128.3
[M]- 136.06421 128.3
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