CID 55254747

2490406-10-3

Structural Information

Molecular Formula
C7H8N2O
SMILES
C1CC2=C(CC1=O)C=NN2
InChI
InChI=1S/C7H8N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4H,1-3H2,(H,8,9)
InChIKey
WWNLWVBNNBDHDF-UHFFFAOYSA-N
Compound name
1,4,6,7-tetrahydroindazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

136.06366 Da
Monoisotopic Mass

-0.1
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

No literature data available for this compound.

Patent stripe

patents stripe